(2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol

C15H22O — CID 6481135

IUPAC(2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C\CO
InChIInChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-11,16H,12H2,1-4H3/b8-5+,10-6+,14-9+,15-11-
InChIKeyXOKHQCCKAMDRCN-DOYUDWJPSA-N
MW218.34 g/mol
LogP3.95
Rot. Bonds5

About (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol

(2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol (PubChem CID 6481135) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol.

Molecular Properties

Compound Name(2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol
PubChem CID6481135
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol
SMILESCC(C)=C/C=C/C(C)=C/C=C/C(C)=C\CO
InChIInChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-11,16H,12H2,1-4H3/b8-5+,10-6+,14-9+,15-11-
InChIKeyXOKHQCCKAMDRCN-DOYUDWJPSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol with MolForge

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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 (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol?
The IUPAC name of (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol (CID 6481135) is (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol.
What is the SMILES notation for (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol?
The canonical SMILES for (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol is CC(C)=C/C=C/C(C)=C/C=C/C(C)=C\CO.
What is the InChIKey of (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol?
The InChIKey is XOKHQCCKAMDRCN-DOYUDWJPSA-N. The full InChI is InChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h5-11,16H,12H2,1-4H3/b8-5+,10-6+,14-9+,15-11-.
What are the key properties of (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol?
(2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pentaen-1-ol is sourced from PubChem (CID 6481135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).