(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol

C12H18O — CID 143088479

IUPAC(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
SMILESC/C=C/C=C(C)\C=C(O)/C(C)=C/C
InChIInChI=1S/C12H18O/c1-5-7-8-10(3)9-12(13)11(4)6-2/h5-9,13H,1-4H3/b7-5+,10-8-,11-6+,12-9+
InChIKeyCGWLKTVZTSQSCT-VDDIPUTESA-N
MW178.27 g/mol
LogP3.92
Rot. Bonds3

About (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol

(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol (PubChem CID 143088479) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol.

Molecular Properties

Compound Name(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
PubChem CID143088479
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
SMILESC/C=C/C=C(C)\C=C(O)/C(C)=C/C
InChIInChI=1S/C12H18O/c1-5-7-8-10(3)9-12(13)11(4)6-2/h5-9,13H,1-4H3/b7-5+,10-8-,11-6+,12-9+
InChIKeyCGWLKTVZTSQSCT-VDDIPUTESA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 91748402
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CID 89402474
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
CID 143450830
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
(2E,4E,6Z)-4-methylocta-2,4,6-trienoyl chloride
CID 87522076
(2Z,4E,6E)-4-bromoocta-2,4,6-triene
CID 89381350
(2E,4E,6E,8E,10E,12E)-2,4,9,13-tetramethyltetradeca-2,4,6,8,10,12-hexaenedioic acid
CID 11588258
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
(4E,6Z)-3-methyl-4-methylsulfonylocta-2,4,6-triene
CID 173385385
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol?
The IUPAC name of (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol (CID 143088479) is (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol.
What is the SMILES notation for (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol?
The canonical SMILES for (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol is C/C=C/C=C(C)\C=C(O)/C(C)=C/C.
What is the InChIKey of (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol?
The InChIKey is CGWLKTVZTSQSCT-VDDIPUTESA-N. The full InChI is InChI=1S/C12H18O/c1-5-7-8-10(3)9-12(13)11(4)6-2/h5-9,13H,1-4H3/b7-5+,10-8-,11-6+,12-9+.
What are the key properties of (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol?
(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol has a molecular weight of 178.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol is sourced from PubChem (CID 143088479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).