4,8,12-trimethylpentadecane-1,15-diol

C18H38O2 — CID 164518613

IUPAC4,8,12-trimethylpentadecane-1,15-diol
SMILESCC(CCCO)CCCC(C)CCCC(C)CCCO
InChIInChI=1S/C18H38O2/c1-16(8-4-10-17(2)12-6-14-19)9-5-11-18(3)13-7-15-20/h16-20H,4-15H2,1-3H3
InChIKeyPGPBJPHVOMMUGR-UHFFFAOYSA-N
MW286.50 g/mol
LogP4.78
Rot. Bonds14

About 4,8,12-trimethylpentadecane-1,15-diol

4,8,12-trimethylpentadecane-1,15-diol (PubChem CID 164518613) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 4,8,12-trimethylpentadecane-1,15-diol.

Molecular Properties

Compound Name4,8,12-trimethylpentadecane-1,15-diol
PubChem CID164518613
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name4,8,12-trimethylpentadecane-1,15-diol
SMILESCC(CCCO)CCCC(C)CCCC(C)CCCO
InChIInChI=1S/C18H38O2/c1-16(8-4-10-17(2)12-6-14-19)9-5-11-18(3)13-7-15-20/h16-20H,4-15H2,1-3H3
InChIKeyPGPBJPHVOMMUGR-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethylpentadecane-1,15-diol?
The IUPAC name of 4,8,12-trimethylpentadecane-1,15-diol (CID 164518613) is 4,8,12-trimethylpentadecane-1,15-diol.
What is the SMILES notation for 4,8,12-trimethylpentadecane-1,15-diol?
The canonical SMILES for 4,8,12-trimethylpentadecane-1,15-diol is CC(CCCO)CCCC(C)CCCC(C)CCCO.
What is the InChIKey of 4,8,12-trimethylpentadecane-1,15-diol?
The InChIKey is PGPBJPHVOMMUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-16(8-4-10-17(2)12-6-14-19)9-5-11-18(3)13-7-15-20/h16-20H,4-15H2,1-3H3.
What are the key properties of 4,8,12-trimethylpentadecane-1,15-diol?
4,8,12-trimethylpentadecane-1,15-diol has a molecular weight of 286.50 g/mol, XLogP of 4.78, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethylpentadecane-1,15-diol is sourced from PubChem (CID 164518613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).