2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane

C315H634O16 — CID 159235328

IUPAC2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCCC(C)(C)C.CCCCCC(C)(C)C.CCCCCC(CCCCC)CCCCCCCC(C)(C)C.CCCCCCC(CCCCCC)CCCCCC(C)(C)C.CCCCCCCC(=O)OCC(CCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(C)(C)C.CCCCCCCC(CCCCCCC)CC(C)(C)C.CCCCCCCC(CCCCCCC)CCCC(C)(C)C.CCCCCCCCC(=CC(C)(C)C)CCCCCCCC.CCCCCCCCC(CCCCCCCC)CC(C)(C)C.CCCCCCCCCC(C)(C)C
InChIInChI=1S/C29H56O4.C28H54O4.C27H52O4.C25H48O4.4C22H46.C22H44.C22H42.C21H40.C20H42.C13H28.C11H24.C9H20/c1-6-8-10-12-17-21-27(30)32-24-26(20-16-14-15-19-23-29(3,4)5)25-33-28(31)22-18-13-11-9-7-2;1-6-8-10-12-16-20-26(29)31-23-25(19-15-14-18-22-28(3,4)5)24-32-27(30)21-17-13-11-9-7-2;1-6-8-10-12-14-19-25(28)30-22-24(18-16-17-21-27(3,4)5)23-31-26(29)20-15-13-11-9-7-2;1-6-8-10-12-14-16-23(26)28-20-22(18-19-25(3,4)5)21-29-24(27)17-15-13-11-9-7-2;1-6-8-13-17-21(18-14-9-7-2)19-15-11-10-12-16-20-22(3,4)5;1-6-8-10-13-17-21(18-14-11-9-7-2)19-15-12-16-20-22(3,4)5;1-6-8-10-12-14-17-21(18-15-13-11-9-7-2)19-16-20-22(3,4)5;2*1-6-8-10-12-14-16-18-21(20-22(3,4)5)19-17-15-13-11-9-7-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;1-6-8-10-12-14-16-19(18-20(3,4)5)17-15-13-11-9-7-2;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11(2,3)4;1-5-6-7-8-9(2,3)4/h26H,6-25H2,1-5H3;25H,6-24H2,1-5H3;24H,6-23H2,1-5H3;22H,6-21H2,1-5H3;4*21H,6-20H2,1-5H3;20H,6-19H2,1-5H3;9-10,12-13H,5-8,11,14-21H2,1-4H3;9-10,12-13H,5-8,11,14-20H2,1-4H3;19H,6-18H2,1-5H3;5-12H2,1-4H3;5-10H2,1-4H3;5-8H2,1-4H3/b;;;;;;;;;2*10-9-,13-12-;;;;
InChIKeyKTJZSBLMWYBDMF-WWBRLGQTSA-N
MW4678.52 g/mol
LogP112.10
Rot. Bonds210

About 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane

2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane (PubChem CID 159235328) has the molecular formula C315H634O16 and a molecular weight of 4678.52 g/mol. Its IUPAC name is 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane.

Molecular Properties

Compound Name2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane
PubChem CID159235328
Molecular FormulaC315H634O16
Molecular Weight4678.52 g/mol
Exact Mass4674.88
IUPAC Name2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCCC(C)(C)C.CCCCCC(C)(C)C.CCCCCC(CCCCC)CCCCCCCC(C)(C)C.CCCCCCC(CCCCCC)CCCCCC(C)(C)C.CCCCCCCC(=O)OCC(CCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(C)(C)C.CCCCCCCC(CCCCCCC)CC(C)(C)C.CCCCCCCC(CCCCCCC)CCCC(C)(C)C.CCCCCCCCC(=CC(C)(C)C)CCCCCCCC.CCCCCCCCC(CCCCCCCC)CC(C)(C)C.CCCCCCCCCC(C)(C)C
InChIInChI=1S/C29H56O4.C28H54O4.C27H52O4.C25H48O4.4C22H46.C22H44.C22H42.C21H40.C20H42.C13H28.C11H24.C9H20/c1-6-8-10-12-17-21-27(30)32-24-26(20-16-14-15-19-23-29(3,4)5)25-33-28(31)22-18-13-11-9-7-2;1-6-8-10-12-16-20-26(29)31-23-25(19-15-14-18-22-28(3,4)5)24-32-27(30)21-17-13-11-9-7-2;1-6-8-10-12-14-19-25(28)30-22-24(18-16-17-21-27(3,4)5)23-31-26(29)20-15-13-11-9-7-2;1-6-8-10-12-14-16-23(26)28-20-22(18-19-25(3,4)5)21-29-24(27)17-15-13-11-9-7-2;1-6-8-13-17-21(18-14-9-7-2)19-15-11-10-12-16-20-22(3,4)5;1-6-8-10-13-17-21(18-14-11-9-7-2)19-15-12-16-20-22(3,4)5;1-6-8-10-12-14-17-21(18-15-13-11-9-7-2)19-16-20-22(3,4)5;2*1-6-8-10-12-14-16-18-21(20-22(3,4)5)19-17-15-13-11-9-7-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;1-6-8-10-12-14-16-19(18-20(3,4)5)17-15-13-11-9-7-2;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11(2,3)4;1-5-6-7-8-9(2,3)4/h26H,6-25H2,1-5H3;25H,6-24H2,1-5H3;24H,6-23H2,1-5H3;22H,6-21H2,1-5H3;4*21H,6-20H2,1-5H3;20H,6-19H2,1-5H3;9-10,12-13H,5-8,11,14-21H2,1-4H3;9-10,12-13H,5-8,11,14-20H2,1-4H3;19H,6-18H2,1-5H3;5-12H2,1-4H3;5-10H2,1-4H3;5-8H2,1-4H3/b;;;;;;;;;2*10-9-,13-12-;;;;
InChIKeyKTJZSBLMWYBDMF-WWBRLGQTSA-N
XLogP112.10
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds210
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004678.52
LogP ≤ 5112.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane with MolForge

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Related Compounds

6,6-dimethyl-1,1-dioctoxyheptane;2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;9-(2,2-dimethylpropyl)heptadecane;2,2-dimethylundecane
CID 160835487
3,3-dimethylbutyl 7-hexyltridecanoate;2,2-dimethyldecane;9,9-dimethyldecyl hexanoate;2,2-dimethyldodecane;11,11-dimethyldodecyl octanoate;8,8-dimethylnonyl octanoate;4,4-dimethylpentyl (9Z,12Z)-octadeca-9,12-dienoate;4,4-dimethylpentyl octanoate;9-(2,2-dimethylpropyl)heptadecane;2,2-dimethyltetradecane;bis(2,2-dimethyltridecane);2,2-dimethylundecane
CID 159390414
3,3-dimethylbutyl 7-hexyltridecanoate;2,2-dimethyldecane;9,9-dimethyldecyl hexanoate;2,2-dimethyldodecane;11,11-dimethyldodecan-1-ol;11,11-dimethyldodecyl octanoate;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;7,7-dimethyloctyl octanoate;4,4-dimethylpentyl (9Z,12Z)-octadeca-9,12-dienoate;9-(2,2-dimethylpropyl)heptadecane;2,2-dimethyltetradecane;2,2-dimethyltridecane;2,2-dimethylundecane
CID 158839805
[(2S)-2-octyldodecyl] (Z)-octadec-9-enoate
CID 76959706
2-[tert-butyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]oxymethyl]butyl] (9Z,12Z)-octadeca-9,12-dienoate;[3,3-dimethyl-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxymethyl]butyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate;[3,3-dimethyl-2-[[(Z)-octadec-9-enoyl]oxymethyl]butyl] (Z)-octadec-9-enoate;[3,3-dimethyl-2-(tetradecanoyloxymethyl)butyl] tetradecanoate;[2-(dodecanoyloxymethyl)-3,3-dimethylbutyl] dodecanoate;8-hexyl-2,2-dimethyltetradecane
CID 161360228
bis(2-propylheptyl) (E)-octadec-9-enedioate
CID 138606759
[4,4-dimethyl-2-(octanoyloxymethyl)pentyl] octanoate
CID 166042620
10-(octadec-9-enoyloxymethyl)octadecanoic acid
CID 151980267
9,9-dimethyldecyl decanoate;6,6-dimethylheptyl 4,4-dioctoxybutanoate;(6Z,9Z)-19,19-dimethylicosa-6,9-diene
CID 158773446
[2-[(2-ethyl-2-methylpentanoyl)oxymethyl]-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
CID 134254946
(2-hydroxy-3-octadeca-9,12-dienoyloxypropyl) octadecanoate
CID 54244514
(3-hexadecanoyloxy-2-hydroxypropyl) octadeca-9,12-dienoate
CID 118797232

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane?
The IUPAC name of 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane (CID 159235328) is 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane.
What is the SMILES notation for 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane?
The canonical SMILES for 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane is CCCCC/C=C\C/C=C\CCCCCCCC(C)(C)C.CCCCC/C=C\C/C=C\CCCCCCCCC(C)(C)C.CCCCCC(C)(C)C.CCCCCC(CCCCC)CCCCCCCC(C)(C)C.CCCCCCC(CCCCCC)CCCCCC(C)(C)C.CCCCCCCC(=O)OCC(CCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(=O)OCC(CCCCCCC(C)(C)C)COC(=O)CCCCCCC.CCCCCCCC(C)(C)C.CCCCCCCC(CCCCCCC)CC(C)(C)C.CCCCCCCC(CCCCCCC)CCCC(C)(C)C.CCCCCCCCC(=CC(C)(C)C)CCCCCCCC.CCCCCCCCC(CCCCCCCC)CC(C)(C)C.CCCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane?
The InChIKey is KTJZSBLMWYBDMF-WWBRLGQTSA-N. The full InChI is InChI=1S/C29H56O4.C28H54O4.C27H52O4.C25H48O4.4C22H46.C22H44.C22H42.C21H40.C20H42.C13H28.C11H24.C9H20/c1-6-8-10-12-17-21-27(30)32-24-26(20-16-14-15-19-23-29(3,4)5)25-33-28(31)22-18-13-11-9-7-2;1-6-8-10-12-16-20-26(29)31-23-25(19-15-14-18-22-28(3,4)5)24-32-27(30)21-17-13-11-9-7-2;1-6-8-10-12-14-19-25(28)30-22-24(18-16-17-21-27(3,4)5)23-31-26(29)20-15-13-11-9-7-2;1-6-8-10-12-14-16-23(26)28-20-22(18-19-25(3,4)5)21-29-24(27)17-15-13-11-9-7-2;1-6-8-13-17-21(18-14-9-7-2)19-15-11-10-12-16-20-22(3,4)5;1-6-8-10-13-17-21(18-14-11-9-7-2)19-15-12-16-20-22(3,4)5;1-6-8-10-12-14-17-21(18-15-13-11-9-7-2)19-16-20-22(3,4)5;2*1-6-8-10-12-14-16-18-21(20-22(3,4)5)19-17-15-13-11-9-7-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;1-6-8-10-12-14-16-19(18-20(3,4)5)17-15-13-11-9-7-2;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11(2,3)4;1-5-6-7-8-9(2,3)4/h26H,6-25H2,1-5H3;25H,6-24H2,1-5H3;24H,6-23H2,1-5H3;22H,6-21H2,1-5H3;4*21H,6-20H2,1-5H3;20H,6-19H2,1-5H3;9-10,12-13H,5-8,11,14-21H2,1-4H3;9-10,12-13H,5-8,11,14-20H2,1-4H3;19H,6-18H2,1-5H3;5-12H2,1-4H3;5-10H2,1-4H3;5-8H2,1-4H3/b;;;;;;;;;2*10-9-,13-12-;;;;.
What are the key properties of 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane?
2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane has a molecular weight of 4678.52 g/mol, XLogP of 112.10, 210 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylheptane;(6Z,9Z)-19,19-dimethylicosa-6,9-diene;(6Z,9Z)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonane;[9,9-dimethyl-2-(octanoyloxymethyl)decyl] octanoate;[5,5-dimethyl-2-(octanoyloxymethyl)hexyl] octanoate;[8,8-dimethyl-2-(octanoyloxymethyl)nonyl] octanoate;[7,7-dimethyl-2-(octanoyloxymethyl)octyl] octanoate;2,2-dimethyl-10-pentylpentadecane;8-(4,4-dimethylpentyl)pentadecane;9-(2,2-dimethylpropyl)heptadecane;9-(2,2-dimethylpropylidene)heptadecane;8-(2,2-dimethylpropyl)pentadecane;2,2-dimethylundecane;8-hexyl-2,2-dimethyltetradecane is sourced from PubChem (CID 159235328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).