11-methylheptadecane-1,2-diol

C18H38O2 — CID 42607318

IUPAC11-methylheptadecane-1,2-diol
SMILESCCCCCCC(C)CCCCCCCCC(O)CO
InChIInChI=1S/C18H38O2/c1-3-4-5-10-13-17(2)14-11-8-6-7-9-12-15-18(20)16-19/h17-20H,3-16H2,1-2H3
InChIKeyCMLNPCMUDFVTRF-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.07
Rot. Bonds15

About 11-methylheptadecane-1,2-diol

11-methylheptadecane-1,2-diol (PubChem CID 42607318) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 11-methylheptadecane-1,2-diol.

Molecular Properties

Compound Name11-methylheptadecane-1,2-diol
PubChem CID42607318
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name11-methylheptadecane-1,2-diol
SMILESCCCCCCC(C)CCCCCCCCC(O)CO
InChIInChI=1S/C18H38O2/c1-3-4-5-10-13-17(2)14-11-8-6-7-9-12-15-18(20)16-19/h17-20H,3-16H2,1-2H3
InChIKeyCMLNPCMUDFVTRF-UHFFFAOYSA-N
XLogP5.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 11-methylheptadecane-1,2-diol?
The IUPAC name of 11-methylheptadecane-1,2-diol (CID 42607318) is 11-methylheptadecane-1,2-diol.
What is the SMILES notation for 11-methylheptadecane-1,2-diol?
The canonical SMILES for 11-methylheptadecane-1,2-diol is CCCCCCC(C)CCCCCCCCC(O)CO.
What is the InChIKey of 11-methylheptadecane-1,2-diol?
The InChIKey is CMLNPCMUDFVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-4-5-10-13-17(2)14-11-8-6-7-9-12-15-18(20)16-19/h17-20H,3-16H2,1-2H3.
What are the key properties of 11-methylheptadecane-1,2-diol?
11-methylheptadecane-1,2-diol has a molecular weight of 286.50 g/mol, XLogP of 5.07, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylheptadecane-1,2-diol is sourced from PubChem (CID 42607318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).