17-methyloctadecane-1,11-diol

C19H40O2 — CID 91311361

IUPAC17-methyloctadecane-1,11-diol
SMILESCC(C)CCCCCC(O)CCCCCCCCCCO
InChIInChI=1S/C19H40O2/c1-18(2)14-10-9-12-16-19(21)15-11-7-5-3-4-6-8-13-17-20/h18-21H,3-17H2,1-2H3
InChIKeyBLNYUSIIWOPBJZ-UHFFFAOYSA-N
MW300.53 g/mol
LogP5.46
Rot. Bonds16

About 17-methyloctadecane-1,11-diol

17-methyloctadecane-1,11-diol (PubChem CID 91311361) has the molecular formula C19H40O2 and a molecular weight of 300.53 g/mol. Its IUPAC name is 17-methyloctadecane-1,11-diol.

Molecular Properties

Compound Name17-methyloctadecane-1,11-diol
PubChem CID91311361
Molecular FormulaC19H40O2
Molecular Weight300.53 g/mol
Exact Mass300.30
IUPAC Name17-methyloctadecane-1,11-diol
SMILESCC(C)CCCCCC(O)CCCCCCCCCCO
InChIInChI=1S/C19H40O2/c1-18(2)14-10-9-12-16-19(21)15-11-7-5-3-4-6-8-13-17-20/h18-21H,3-17H2,1-2H3
InChIKeyBLNYUSIIWOPBJZ-UHFFFAOYSA-N
XLogP5.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 55.46
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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Related Compounds

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(2S)-24-methylpentacosane-1,2-diol
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3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 17-methyloctadecane-1,11-diol?
The IUPAC name of 17-methyloctadecane-1,11-diol (CID 91311361) is 17-methyloctadecane-1,11-diol.
What is the SMILES notation for 17-methyloctadecane-1,11-diol?
The canonical SMILES for 17-methyloctadecane-1,11-diol is CC(C)CCCCCC(O)CCCCCCCCCCO.
What is the InChIKey of 17-methyloctadecane-1,11-diol?
The InChIKey is BLNYUSIIWOPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2/c1-18(2)14-10-9-12-16-19(21)15-11-7-5-3-4-6-8-13-17-20/h18-21H,3-17H2,1-2H3.
What are the key properties of 17-methyloctadecane-1,11-diol?
17-methyloctadecane-1,11-diol has a molecular weight of 300.53 g/mol, XLogP of 5.46, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methyloctadecane-1,11-diol is sourced from PubChem (CID 91311361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).