pentadeca-2,9-dien-4,6-diyn-1-ol

C15H20O — CID 72739887

IUPACpentadeca-2,9-dien-4,6-diyn-1-ol
SMILESCCCCCC=CCC#CC#CC=CCO
InChIInChI=1S/C15H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,13-14,16H,2-5,8,15H2,1H3
InChIKeyLQTQHFYCEDKVEJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.07
Rot. Bonds6

About pentadeca-2,9-dien-4,6-diyn-1-ol

pentadeca-2,9-dien-4,6-diyn-1-ol (PubChem CID 72739887) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is pentadeca-2,9-dien-4,6-diyn-1-ol.

Molecular Properties

Compound Namepentadeca-2,9-dien-4,6-diyn-1-ol
PubChem CID72739887
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Namepentadeca-2,9-dien-4,6-diyn-1-ol
SMILESCCCCCC=CCC#CC#CC=CCO
InChIInChI=1S/C15H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,13-14,16H,2-5,8,15H2,1H3
InChIKeyLQTQHFYCEDKVEJ-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.07
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 pentadeca-2,9-dien-4,6-diyn-1-ol?
The IUPAC name of pentadeca-2,9-dien-4,6-diyn-1-ol (CID 72739887) is pentadeca-2,9-dien-4,6-diyn-1-ol.
What is the SMILES notation for pentadeca-2,9-dien-4,6-diyn-1-ol?
The canonical SMILES for pentadeca-2,9-dien-4,6-diyn-1-ol is CCCCCC=CCC#CC#CC=CCO.
What is the InChIKey of pentadeca-2,9-dien-4,6-diyn-1-ol?
The InChIKey is LQTQHFYCEDKVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h6-7,13-14,16H,2-5,8,15H2,1H3.
What are the key properties of pentadeca-2,9-dien-4,6-diyn-1-ol?
pentadeca-2,9-dien-4,6-diyn-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-2,9-dien-4,6-diyn-1-ol is sourced from PubChem (CID 72739887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).