14-methylhexadec-8-yn-1-ol

C17H32O — CID 556973

IUPAC14-methylhexadec-8-yn-1-ol
SMILESCCC(C)CCCCC#CCCCCCCCO
InChIInChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-4,6,8-16H2,1-2H3
InChIKeyGGNPJEDYBWMUJF-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.93
Rot. Bonds11

About 14-methylhexadec-8-yn-1-ol

14-methylhexadec-8-yn-1-ol (PubChem CID 556973) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 14-methylhexadec-8-yn-1-ol.

Molecular Properties

Compound Name14-methylhexadec-8-yn-1-ol
PubChem CID556973
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name14-methylhexadec-8-yn-1-ol
SMILESCCC(C)CCCCC#CCCCCCCCO
InChIInChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-4,6,8-16H2,1-2H3
InChIKeyGGNPJEDYBWMUJF-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.93
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 14-methylhexadec-8-yn-1-ol?
The IUPAC name of 14-methylhexadec-8-yn-1-ol (CID 556973) is 14-methylhexadec-8-yn-1-ol.
What is the SMILES notation for 14-methylhexadec-8-yn-1-ol?
The canonical SMILES for 14-methylhexadec-8-yn-1-ol is CCC(C)CCCCC#CCCCCCCCO.
What is the InChIKey of 14-methylhexadec-8-yn-1-ol?
The InChIKey is GGNPJEDYBWMUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-4,6,8-16H2,1-2H3.
What are the key properties of 14-methylhexadec-8-yn-1-ol?
14-methylhexadec-8-yn-1-ol has a molecular weight of 252.44 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methylhexadec-8-yn-1-ol is sourced from PubChem (CID 556973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).