phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate

C35H62O3 — CID 57032757

IUPACphenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate
SMILESCCCCCCCCCCCCCCCCCCC(C(=O)Oc1ccccc1)C(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(32(36)38-30-27-24-23-25-28-30)35(37,33(2,3)4)34(5,6)7/h23-25,27-28,31,37H,8-22,26,29H2,1-7H3
InChIKeyQTNIEYAEDIWXGP-UHFFFAOYSA-N
MW530.88 g/mol
LogP10.68
Rot. Bonds20

About phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate

phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate (PubChem CID 57032757) has the molecular formula C35H62O3 and a molecular weight of 530.88 g/mol. Its IUPAC name is phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate.

Molecular Properties

Compound Namephenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate
PubChem CID57032757
Molecular FormulaC35H62O3
Molecular Weight530.88 g/mol
Exact Mass530.47
IUPAC Namephenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate
SMILESCCCCCCCCCCCCCCCCCCC(C(=O)Oc1ccccc1)C(O)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(32(36)38-30-27-24-23-25-28-30)35(37,33(2,3)4)34(5,6)7/h23-25,27-28,31,37H,8-22,26,29H2,1-7H3
InChIKeyQTNIEYAEDIWXGP-UHFFFAOYSA-N
XLogP10.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.88
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate with MolForge

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Launch Full Analysis

Related Compounds

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phenyl 2-hexadecyl-3,4-dioxoicosanoate
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Frequently Asked Questions

What is the IUPAC name of phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate?
The IUPAC name of phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate (CID 57032757) is phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate.
What is the SMILES notation for phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate?
The canonical SMILES for phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate is CCCCCCCCCCCCCCCCCCC(C(=O)Oc1ccccc1)C(O)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate?
The InChIKey is QTNIEYAEDIWXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(32(36)38-30-27-24-23-25-28-30)35(37,33(2,3)4)34(5,6)7/h23-25,27-28,31,37H,8-22,26,29H2,1-7H3.
What are the key properties of phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate?
phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate has a molecular weight of 530.88 g/mol, XLogP of 10.68, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 16-butyl-9-(8-tert-butyl-8-hydroxy-9,9-dimethyldecyl)-2-(3-tert-butyl-3-hydroxy-2,2-dimethyldocosan-4-yl)-11-(10-tert-butyl-10-hydroxy-11,11-dimethyldodecyl)-20-(19-tert-butyl-19-hydroxy-20,20-dimethylhenicosyl)-16-(15-tert-butyl-15-hydroxy-16,16-dimethylheptadecyl)-6-(5-tert-butyl-5-hydroxy-6,6-dimethylheptyl)-15-(14-tert-butyl-14-hydroxy-15,15-dimethylhexadecyl)-5-(4-tert-butyl-4-hydroxy-5,5-dimethylhexyl)-19-(18-tert-butyl-18-hydroxy-19,19-dimethylicosyl)-18-(17-tert-butyl-17-hydroxy-18,18-dimethylnonadecyl)-8-(7-tert-butyl-7-hydroxy-8,8-dimethylnonyl)-17-(16-tert-butyl-16-hydroxy-17,17-dimethyloctadecyl)-7-(6-tert-butyl-6-hydroxy-7,7-dimethyloctyl)-14-(13-tert-butyl-13-hydroxy-14,14-dimethylpentadecyl)-4-(3-tert-butyl-3-hydroxy-4,4-dimethylpentyl)-13-(12-tert-butyl-12-hydroxy-13,13-dimethyltetradecyl)-12-(11-tert-butyl-11-hydroxy-12,12-dimethyltridecyl)-10-(9-tert-butyl-9-hydroxy-10,10-dimethylundecyl)-10-decyl-8-dodecyl-18-ethyl-3-heptadecyl-13-heptyl-4-hexadecyl-14-hexyl-19-methyl-11-nonyl-12-octyl-5-pentadecyl-15-pentyl-17-propyl-6-tetradecyl-7-tridecyl-9-undecylicosanoate is sourced from PubChem (CID 57032757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).