(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol

C15H20O — CID 163193273

IUPAC(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol
SMILESC=CCCC/C=C\CC#CC#C[C@@H](O)CC
InChIInChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3,8-9,15-16H,1,4-7,10H2,2H3/b9-8-/t15-/m0/s1
InChIKeyKWLPBQVEAVSPLL-CDNLZTBQSA-N
MW216.32 g/mol
LogP3.07
Rot. Bonds6

About (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol

(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol (PubChem CID 163193273) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol.

Molecular Properties

Compound Name(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol
PubChem CID163193273
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol
SMILESC=CCCC/C=C\CC#CC#C[C@@H](O)CC
InChIInChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3,8-9,15-16H,1,4-7,10H2,2H3/b9-8-/t15-/m0/s1
InChIKeyKWLPBQVEAVSPLL-CDNLZTBQSA-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 (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol?
The IUPAC name of (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol (CID 163193273) is (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol.
What is the SMILES notation for (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol?
The canonical SMILES for (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol is C=CCCC/C=C\CC#CC#C[C@@H](O)CC.
What is the InChIKey of (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol?
The InChIKey is KWLPBQVEAVSPLL-CDNLZTBQSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3,8-9,15-16H,1,4-7,10H2,2H3/b9-8-/t15-/m0/s1.
What are the key properties of (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol?
(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-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 (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol is sourced from PubChem (CID 163193273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).