(3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol

C12H18O2 — CID 134887246

IUPAC(3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol
SMILESC=C(C)C#CC(O)C/C(C)=C\CCO
InChIInChI=1S/C12H18O2/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h5,12-14H,1,4,8-9H2,2-3H3/b11-5-
InChIKeyKEFQLOUYCKBJCU-WZUFQYTHSA-N
MW194.27 g/mol
LogP1.65
Rot. Bonds4

About (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol

(3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol (PubChem CID 134887246) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol.

Molecular Properties

Compound Name(3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol
PubChem CID134887246
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol
SMILESC=C(C)C#CC(O)C/C(C)=C\CCO
InChIInChI=1S/C12H18O2/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h5,12-14H,1,4,8-9H2,2-3H3/b11-5-
InChIKeyKEFQLOUYCKBJCU-WZUFQYTHSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-5-hepten-2-ol
CID 20745
2,6-Dimethyl-2,6-undecadien-10-ol
CID 5370125
7-methyl-6E-nonen-3-ol
CID 5283283
(+)-6-Methyl-5-hepten-2-ol
CID 6971127
sulcatol, (R)-
CID 6971128
5,9-Undecadien-2-ol, 6,10-dimethyl-
CID 103851
(2E,6E,9xi)-Farnesol
CID 101648403
6,10,15,19,23-Pentamethyl-tetracosa-6,10,14,18,22-pentaen-1-yn-3-ol
CID 14544611
6,10,15,19-Tetramethyl-tetracosa-6,10,14,18-tetraene-1,23-diyne-3,22-diol
CID 14544612
(3E,7E)-4,8-dimethyl-undecane-3,7-diene-1,11-diol
CID 156581629
(3S)-pentadeca-9,14-dien-4,6-diyn-3-ol
CID 162894043
(3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol
CID 163193273

Frequently Asked Questions

What is the IUPAC name of (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol?
The IUPAC name of (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol (CID 134887246) is (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol.
What is the SMILES notation for (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol?
The canonical SMILES for (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol is C=C(C)C#CC(O)C/C(C)=C\CCO.
What is the InChIKey of (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol?
The InChIKey is KEFQLOUYCKBJCU-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H18O2/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h5,12-14H,1,4,8-9H2,2-3H3/b11-5-.
What are the key properties of (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol?
(3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol has a molecular weight of 194.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4,9-dimethyldeca-3,9-dien-7-yne-1,6-diol is sourced from PubChem (CID 134887246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).