(2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol

C15H20O2 — CID 163086926

IUPAC(2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol
SMILESCCCCC[C@@H](O)/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C15H20O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13,15-17H,2-3,9,12,14H2,1H3/b11-8-,13-10+/t15-/m1/s1
InChIKeyTXEUXMADTKQADQ-QNIVMTLBSA-N
MW232.32 g/mol
LogP2.04
Rot. Bonds6

About (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol

(2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol (PubChem CID 163086926) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol.

Molecular Properties

Compound Name(2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol
PubChem CID163086926
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol
SMILESCCCCC[C@@H](O)/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C15H20O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13,15-17H,2-3,9,12,14H2,1H3/b11-8-,13-10+/t15-/m1/s1
InChIKeyTXEUXMADTKQADQ-QNIVMTLBSA-N
XLogP2.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-Octen-4-ol, (2E)-
CID 5366203
Falcarindiol
CID 5281148
Oenanthotoxin
CID 44138996
Bupleurotoxin
CID 44613554
Heptadeca-1,9-diene-4,6-diyne-3,8-diol
CID 5317309
(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
Dendroarboreol B
CID 5469788
1,9-Heptadecadiene-4,6-diyne-3,8-diol
CID 6436239
Virol C
CID 11108150
Ginsenoyne K
CID 15736266
Virol B
CID 10753985
Virol A
CID 11108083

Frequently Asked Questions

What is the IUPAC name of (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol?
The IUPAC name of (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol (CID 163086926) is (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol.
What is the SMILES notation for (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol?
The canonical SMILES for (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol is CCCCC[C@@H](O)/C=C/C#CC#C/C=C\CO.
What is the InChIKey of (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol?
The InChIKey is TXEUXMADTKQADQ-QNIVMTLBSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16/h8,10-11,13,15-17H,2-3,9,12,14H2,1H3/b11-8-,13-10+/t15-/m1/s1.
What are the key properties of (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol?
(2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol has a molecular weight of 232.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8E,10R)-pentadeca-2,8-dien-4,6-diyne-1,10-diol is sourced from PubChem (CID 163086926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).