pentadec-10-en-5-yn-1-ol

C15H26O — CID 534855

IUPACpentadec-10-en-5-yn-1-ol
SMILESCCCCC=CCCCC#CCCCCO
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,16H,2-4,7-9,12-15H2,1H3
InChIKeyIPEPWRKVHRPTMS-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.07
Rot. Bonds9

About pentadec-10-en-5-yn-1-ol

pentadec-10-en-5-yn-1-ol (PubChem CID 534855) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is pentadec-10-en-5-yn-1-ol.

Molecular Properties

Compound Namepentadec-10-en-5-yn-1-ol
PubChem CID534855
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namepentadec-10-en-5-yn-1-ol
SMILESCCCCC=CCCCC#CCCCCO
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,16H,2-4,7-9,12-15H2,1H3
InChIKeyIPEPWRKVHRPTMS-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.07
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentadec-10-en-5-yn-1-ol?
The IUPAC name of pentadec-10-en-5-yn-1-ol (CID 534855) is pentadec-10-en-5-yn-1-ol.
What is the SMILES notation for pentadec-10-en-5-yn-1-ol?
The canonical SMILES for pentadec-10-en-5-yn-1-ol is CCCCC=CCCCC#CCCCCO.
What is the InChIKey of pentadec-10-en-5-yn-1-ol?
The InChIKey is IPEPWRKVHRPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-6,16H,2-4,7-9,12-15H2,1H3.
What are the key properties of pentadec-10-en-5-yn-1-ol?
pentadec-10-en-5-yn-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-10-en-5-yn-1-ol is sourced from PubChem (CID 534855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).