9-methylheptadec-7-yn-9-ol

C18H34O — CID 135042632

IUPAC9-methylheptadec-7-yn-9-ol
SMILESCCCCCCC#CC(C)(O)CCCCCCCC
InChIInChI=1S/C18H34O/c1-4-6-8-10-12-14-16-18(3,19)17-15-13-11-9-7-5-2/h19H,4-14,16H2,1-3H3
InChIKeyDONOOKAIMMEPBZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.46
Rot. Bonds11

About 9-methylheptadec-7-yn-9-ol

9-methylheptadec-7-yn-9-ol (PubChem CID 135042632) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 9-methylheptadec-7-yn-9-ol.

Molecular Properties

Compound Name9-methylheptadec-7-yn-9-ol
PubChem CID135042632
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name9-methylheptadec-7-yn-9-ol
SMILESCCCCCCC#CC(C)(O)CCCCCCCC
InChIInChI=1S/C18H34O/c1-4-6-8-10-12-14-16-18(3,19)17-15-13-11-9-7-5-2/h19H,4-14,16H2,1-3H3
InChIKeyDONOOKAIMMEPBZ-UHFFFAOYSA-N
XLogP5.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methylheptadec-7-yn-9-ol?
The IUPAC name of 9-methylheptadec-7-yn-9-ol (CID 135042632) is 9-methylheptadec-7-yn-9-ol.
What is the SMILES notation for 9-methylheptadec-7-yn-9-ol?
The canonical SMILES for 9-methylheptadec-7-yn-9-ol is CCCCCCC#CC(C)(O)CCCCCCCC.
What is the InChIKey of 9-methylheptadec-7-yn-9-ol?
The InChIKey is DONOOKAIMMEPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-4-6-8-10-12-14-16-18(3,19)17-15-13-11-9-7-5-2/h19H,4-14,16H2,1-3H3.
What are the key properties of 9-methylheptadec-7-yn-9-ol?
9-methylheptadec-7-yn-9-ol has a molecular weight of 266.47 g/mol, XLogP of 5.46, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylheptadec-7-yn-9-ol is sourced from PubChem (CID 135042632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).