(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol

C11H16O — CID 15379664

IUPAC(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SMILESC=C/C(C)=C/C=C/C(C)=C/CO
InChIInChI=1S/C11H16O/c1-4-10(2)6-5-7-11(3)8-9-12/h4-8,12H,1,9H2,2-3H3/b7-5+,10-6+,11-8+
InChIKeyBRKQESNQYILVIV-FUIMHKSZSA-N
MW164.25 g/mol
LogP2.61
Rot. Bonds4

About (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol

(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol (PubChem CID 15379664) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol.

Molecular Properties

Compound Name(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
PubChem CID15379664
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol
SMILESC=C/C(C)=C/C=C/C(C)=C/CO
InChIInChI=1S/C11H16O/c1-4-10(2)6-5-7-11(3)8-9-12/h4-8,12H,1,9H2,2-3H3/b7-5+,10-6+,11-8+
InChIKeyBRKQESNQYILVIV-FUIMHKSZSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
trans-2,cis-6-Nonadienol
CID 5362833
(2-cis,6-trans)-Farnesol
CID 1549108
2,4-Decadien-1-ol, (2E,4E)-
CID 5362696
3,7-Dimethyl-2,6-octadienol
CID 4458
2,4-Heptadien-1-ol, (2E,4E)-
CID 5367391
a Farnesol
CID 3327
Farnesol, (2Z,6Z)-
CID 1549107
2,6-Nonadien-1-ol
CID 34134
2,4-Nonadien-1-ol
CID 112492

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
The IUPAC name of (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol (CID 15379664) is (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol.
What is the SMILES notation for (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
The canonical SMILES for (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol is C=C/C(C)=C/C=C/C(C)=C/CO.
What is the InChIKey of (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
The InChIKey is BRKQESNQYILVIV-FUIMHKSZSA-N. The full InChI is InChI=1S/C11H16O/c1-4-10(2)6-5-7-11(3)8-9-12/h4-8,12H,1,9H2,2-3H3/b7-5+,10-6+,11-8+.
What are the key properties of (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol?
(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol has a molecular weight of 164.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraen-1-ol is sourced from PubChem (CID 15379664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).