(6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol

C15H20O — CID 163039256

IUPAC(6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol
SMILESC/C=C/C#CC#C/C=C/[C@H](O)CCCCC
InChIInChI=1S/C15H20O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h3,5,12,14-16H,4,6,11,13H2,1-2H3/b5-3+,14-12+/t15-/m1/s1
InChIKeyXAXGSDODPMRMAE-MGFOOGNRSA-N
MW216.32 g/mol
LogP3.07
Rot. Bonds5

About (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol

(6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol (PubChem CID 163039256) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol.

Molecular Properties

Compound Name(6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol
PubChem CID163039256
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol
SMILESC/C=C/C#CC#C/C=C/[C@H](O)CCCCC
InChIInChI=1S/C15H20O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h3,5,12,14-16H,4,6,11,13H2,1-2H3/b5-3+,14-12+/t15-/m1/s1
InChIKeyXAXGSDODPMRMAE-MGFOOGNRSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 18827
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CID 6992244
Bupleurotoxin
CID 44613554
(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
Dendroarboreol B
CID 5469788
Virol C
CID 11108150
(S)-1-Octen-3-ol
CID 2724898
Ginsenoyne K
CID 15736266
Ginsenoyne J
CID 131752800
Virol B
CID 10753985

Frequently Asked Questions

What is the IUPAC name of (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol?
The IUPAC name of (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol (CID 163039256) is (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol.
What is the SMILES notation for (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol?
The canonical SMILES for (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol is C/C=C/C#CC#C/C=C/[C@H](O)CCCCC.
What is the InChIKey of (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol?
The InChIKey is XAXGSDODPMRMAE-MGFOOGNRSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-7-8-9-10-12-14-15(16)13-11-6-4-2/h3,5,12,14-16H,4,6,11,13H2,1-2H3/b5-3+,14-12+/t15-/m1/s1.
What are the key properties of (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol?
(6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol has a molecular weight of 216.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7E,13E)-pentadeca-7,13-dien-9,11-diyn-6-ol is sourced from PubChem (CID 163039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).