(3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol

C15H24O3 — CID 21159762

IUPAC(3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol
SMILESCC(C)(O)C#C/C(=C/C=C/C(C)(C)O)C(C)(C)O
InChIInChI=1S/C15H24O3/c1-13(2,16)10-7-8-12(15(5,6)18)9-11-14(3,4)17/h7-8,10,16-18H,1-6H3/b10-7+,12-8-
InChIKeySVJPHTBNOANREV-NFZZJPOKSA-N
MW252.35 g/mol
LogP1.79
Rot. Bonds3

About (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol

(3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol (PubChem CID 21159762) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol.

Molecular Properties

Compound Name(3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol
PubChem CID21159762
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name(3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol
SMILESCC(C)(O)C#C/C(=C/C=C/C(C)(C)O)C(C)(C)O
InChIInChI=1S/C15H24O3/c1-13(2,16)10-7-8-12(15(5,6)18)9-11-14(3,4)17/h7-8,10,16-18H,1-6H3/b10-7+,12-8-
InChIKeySVJPHTBNOANREV-NFZZJPOKSA-N
XLogP1.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol with MolForge

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Related Compounds

3,7-Dimethyl-4,6-octadien-3-ol
CID 86750
(3E,5E)-2,6-dimethylocta-3,5,7-trien-2-ol
CID 5363695
3,5-Octadien-2-ol, 2,6-dimethyl-, (5Z)-
CID 6436462
3,5-Octadien-2-ol, 2,6-dimethyl-, (5E)-
CID 6436463
3,5,7-Octatrien-2-ol, 2,6-dimethyl-
CID 538933
(Z,Z)-2,6-Dimethyl-3,5,7-octatrien-2-ol
CID 5363692
(3E,5E)-2,6,7-trimethylocta-3,5-dien-2-ol
CID 118715379
3,5-Heptadien-2-ol, 2,6-dimethyl-
CID 572128
2,6-Dimethyl-3,5-octadien-2-OL
CID 86775
3,7-Dimethyl-1,4,6-octatrien-3-ol
CID 158409
(4E)-3,7-dimethylocta-4,6-dien-3-ol
CID 6537988
(e)-2,6-Dimethyl-3,5,7-octatrien-2-ol
CID 91748508

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol?
The IUPAC name of (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol (CID 21159762) is (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol.
What is the SMILES notation for (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol?
The canonical SMILES for (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol is CC(C)(O)C#C/C(=C/C=C/C(C)(C)O)C(C)(C)O.
What is the InChIKey of (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol?
The InChIKey is SVJPHTBNOANREV-NFZZJPOKSA-N. The full InChI is InChI=1S/C15H24O3/c1-13(2,16)10-7-8-12(15(5,6)18)9-11-14(3,4)17/h7-8,10,16-18H,1-6H3/b10-7+,12-8-.
What are the key properties of (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol?
(3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol has a molecular weight of 252.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-(2-hydroxypropan-2-yl)-2,9-dimethyldeca-3,5-dien-7-yne-2,9-diol is sourced from PubChem (CID 21159762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).