2-methylheptadec-12-en-2-ol

C18H36O — CID 90988824

IUPAC2-methylheptadec-12-en-2-ol
SMILESCCCCC=CCCCCCCCCCC(C)(C)O
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h7-8,19H,4-6,9-17H2,1-3H3
InChIKeyAVXSLPZQDHXTSA-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.01
Rot. Bonds13

About 2-methylheptadec-12-en-2-ol

2-methylheptadec-12-en-2-ol (PubChem CID 90988824) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 2-methylheptadec-12-en-2-ol.

Molecular Properties

Compound Name2-methylheptadec-12-en-2-ol
PubChem CID90988824
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name2-methylheptadec-12-en-2-ol
SMILESCCCCC=CCCCCCCCCCC(C)(C)O
InChIInChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h7-8,19H,4-6,9-17H2,1-3H3
InChIKeyAVXSLPZQDHXTSA-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-2-aminoicos-11-en-2-ol
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(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
azanium;2-methylhexadecan-2-ol;bromide
CID 159318325
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CID 54227700
nonadec-5-ene
CID 543596
(9Z)-hexatriaconta-9,19-diene-18,18-diol
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Frequently Asked Questions

What is the IUPAC name of 2-methylheptadec-12-en-2-ol?
The IUPAC name of 2-methylheptadec-12-en-2-ol (CID 90988824) is 2-methylheptadec-12-en-2-ol.
What is the SMILES notation for 2-methylheptadec-12-en-2-ol?
The canonical SMILES for 2-methylheptadec-12-en-2-ol is CCCCC=CCCCCCCCCCC(C)(C)O.
What is the InChIKey of 2-methylheptadec-12-en-2-ol?
The InChIKey is AVXSLPZQDHXTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)19/h7-8,19H,4-6,9-17H2,1-3H3.
What are the key properties of 2-methylheptadec-12-en-2-ol?
2-methylheptadec-12-en-2-ol has a molecular weight of 268.48 g/mol, XLogP of 6.01, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptadec-12-en-2-ol is sourced from PubChem (CID 90988824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).