2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol

C34H60O — CID 18961281

IUPAC2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCCCCCCCCCCCC(C)c1cc(C(C)(C)CC(C)(C)C)cc(C2CCCCC2)c1O
InChIInChI=1S/C34H60O/c1-8-9-10-11-12-13-14-15-16-18-21-27(2)30-24-29(34(6,7)26-33(3,4)5)25-31(32(30)35)28-22-19-17-20-23-28/h24-25,27-28,35H,8-23,26H2,1-7H3
InChIKeyZFLYSPFTQUOAIM-UHFFFAOYSA-N
MW484.85 g/mol
LogP11.57
Rot. Bonds15

About 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol

2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 18961281) has the molecular formula C34H60O and a molecular weight of 484.85 g/mol. Its IUPAC name is 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID18961281
Molecular FormulaC34H60O
Molecular Weight484.85 g/mol
Exact Mass484.46
IUPAC Name2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCCCCCCCCCCCCC(C)c1cc(C(C)(C)CC(C)(C)C)cc(C2CCCCC2)c1O
InChIInChI=1S/C34H60O/c1-8-9-10-11-12-13-14-15-16-18-21-27(2)30-24-29(34(6,7)26-33(3,4)5)25-31(32(30)35)28-22-19-17-20-23-28/h24-25,27-28,35H,8-23,26H2,1-7H3
InChIKeyZFLYSPFTQUOAIM-UHFFFAOYSA-N
XLogP11.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.85
LogP ≤ 511.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 18961281) is 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol is CCCCCCCCCCCCC(C)c1cc(C(C)(C)CC(C)(C)C)cc(C2CCCCC2)c1O.
What is the InChIKey of 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is ZFLYSPFTQUOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60O/c1-8-9-10-11-12-13-14-15-16-18-21-27(2)30-24-29(34(6,7)26-33(3,4)5)25-31(32(30)35)28-22-19-17-20-23-28/h24-25,27-28,35H,8-23,26H2,1-7H3.
What are the key properties of 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 484.85 g/mol, XLogP of 11.57, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-tetradecan-2-yl-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 18961281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).