10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate

C42H66O6 — CID 22133492

IUPAC10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate
SMILESCCC(C)(C)c1cc(CC(=O)OCCCCCCCCCCOC(=O)Cc2cc(C(C)C)c(O)c(C(C)(C)CC)c2)cc(C(C)C)c1O
InChIInChI=1S/C42H66O6/c1-11-41(7,8)35-25-31(23-33(29(3)4)39(35)45)27-37(43)47-21-19-17-15-13-14-16-18-20-22-48-38(44)28-32-24-34(30(5)6)40(46)36(26-32)42(9,10)12-2/h23-26,29-30,45-46H,11-22,27-28H2,1-10H3
InChIKeyJJLQANKXHJJGKB-UHFFFAOYSA-N
MW666.98 g/mol
LogP10.71
Rot. Bonds21

About 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate

10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate (PubChem CID 22133492) has the molecular formula C42H66O6 and a molecular weight of 666.98 g/mol. Its IUPAC name is 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate.

Molecular Properties

Compound Name10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate
PubChem CID22133492
Molecular FormulaC42H66O6
Molecular Weight666.98 g/mol
Exact Mass666.49
IUPAC Name10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate
SMILESCCC(C)(C)c1cc(CC(=O)OCCCCCCCCCCOC(=O)Cc2cc(C(C)C)c(O)c(C(C)(C)CC)c2)cc(C(C)C)c1O
InChIInChI=1S/C42H66O6/c1-11-41(7,8)35-25-31(23-33(29(3)4)39(35)45)27-37(43)47-21-19-17-15-13-14-16-18-20-22-48-38(44)28-32-24-34(30(5)6)40(46)36(26-32)42(9,10)12-2/h23-26,29-30,45-46H,11-22,27-28H2,1-10H3
InChIKeyJJLQANKXHJJGKB-UHFFFAOYSA-N
XLogP10.71
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.98
LogP ≤ 510.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxyethyl 2-[3-ethyl-4-hydroxy-5-(2-methylbutan-2-yl)phenyl]acetate
CID 54207072
hexyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)phenyl]acetate
CID 174435371
10-methylundecyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54498839
6-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylperoxy]hexyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 54265100
octadecyl 2-(3,4,5-trihydroxyphenyl)acetate
CID 155147439
hexadecyl 2-(3,5-dihydroxyphenyl)acetate
CID 155147414
hexyl 4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylbutanoate
CID 174248124
2-tert-butyl-4-(decoxymethyl)-6-propan-2-ylphenol
CID 87421639
2-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethoxy]propoxy]ethyl 3-(3-ethyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 58500719
10-[4-hydroxy-3,5-bis(2-methylpentan-2-yl)phenyl]decyl 3-sulfanylpropanoate
CID 21438768
[3-[3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoyloxy]-3-methylbutyl] 3-(3-tert-butyl-4-hydroxy-5-propan-2-ylphenyl)propanoate
CID 91272365
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate?
The IUPAC name of 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate (CID 22133492) is 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate.
What is the SMILES notation for 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate?
The canonical SMILES for 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate is CCC(C)(C)c1cc(CC(=O)OCCCCCCCCCCOC(=O)Cc2cc(C(C)C)c(O)c(C(C)(C)CC)c2)cc(C(C)C)c1O.
What is the InChIKey of 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate?
The InChIKey is JJLQANKXHJJGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H66O6/c1-11-41(7,8)35-25-31(23-33(29(3)4)39(35)45)27-37(43)47-21-19-17-15-13-14-16-18-20-22-48-38(44)28-32-24-34(30(5)6)40(46)36(26-32)42(9,10)12-2/h23-26,29-30,45-46H,11-22,27-28H2,1-10H3.
What are the key properties of 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate?
10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate has a molecular weight of 666.98 g/mol, XLogP of 10.71, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetyl]oxydecyl 2-[4-hydroxy-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]acetate is sourced from PubChem (CID 22133492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).