2,15,15-trimethylhexadecan-2-ol

C19H40O — CID 170848508

IUPAC2,15,15-trimethylhexadecan-2-ol
SMILESCC(C)(C)CCCCCCCCCCCCC(C)(C)O
InChIInChI=1S/C19H40O/c1-18(2,3)16-14-12-10-8-6-7-9-11-13-15-17-19(4,5)20/h20H,6-17H2,1-5H3
InChIKeyBOVPGSYDFLRQSO-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.48
Rot. Bonds12

About 2,15,15-trimethylhexadecan-2-ol

2,15,15-trimethylhexadecan-2-ol (PubChem CID 170848508) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 2,15,15-trimethylhexadecan-2-ol.

Molecular Properties

Compound Name2,15,15-trimethylhexadecan-2-ol
PubChem CID170848508
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name2,15,15-trimethylhexadecan-2-ol
SMILESCC(C)(C)CCCCCCCCCCCCC(C)(C)O
InChIInChI=1S/C19H40O/c1-18(2,3)16-14-12-10-8-6-7-9-11-13-15-17-19(4,5)20/h20H,6-17H2,1-5H3
InChIKeyBOVPGSYDFLRQSO-UHFFFAOYSA-N
XLogP6.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.48
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 2,15,15-trimethylhexadecan-2-ol?
The IUPAC name of 2,15,15-trimethylhexadecan-2-ol (CID 170848508) is 2,15,15-trimethylhexadecan-2-ol.
What is the SMILES notation for 2,15,15-trimethylhexadecan-2-ol?
The canonical SMILES for 2,15,15-trimethylhexadecan-2-ol is CC(C)(C)CCCCCCCCCCCCC(C)(C)O.
What is the InChIKey of 2,15,15-trimethylhexadecan-2-ol?
The InChIKey is BOVPGSYDFLRQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-18(2,3)16-14-12-10-8-6-7-9-11-13-15-17-19(4,5)20/h20H,6-17H2,1-5H3.
What are the key properties of 2,15,15-trimethylhexadecan-2-ol?
2,15,15-trimethylhexadecan-2-ol has a molecular weight of 284.53 g/mol, XLogP of 6.48, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15,15-trimethylhexadecan-2-ol is sourced from PubChem (CID 170848508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).