(2E)-3,7-dimethyldodeca-2,6-dien-1-ol

C14H26O — CID 141351623

IUPAC(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
SMILESCCCCCC(C)=CCC/C(C)=C/CO
InChIInChI=1S/C14H26O/c1-4-5-6-8-13(2)9-7-10-14(3)11-12-15/h9,11,15H,4-8,10,12H2,1-3H3/b13-9?,14-11+
InChIKeyBSNJKWDYMXLKBM-ZNNSLDMCSA-N
MW210.36 g/mol
LogP4.23
Rot. Bonds8

About (2E)-3,7-dimethyldodeca-2,6-dien-1-ol

(2E)-3,7-dimethyldodeca-2,6-dien-1-ol (PubChem CID 141351623) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (2E)-3,7-dimethyldodeca-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
PubChem CID141351623
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
SMILESCCCCCC(C)=CCC/C(C)=C/CO
InChIInChI=1S/C14H26O/c1-4-5-6-8-13(2)9-7-10-14(3)11-12-15/h9,11,15H,4-8,10,12H2,1-3H3/b13-9?,14-11+
InChIKeyBSNJKWDYMXLKBM-ZNNSLDMCSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54031242
6-methyldocos-6-ene
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7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(2E)-3,7-dimethylocta-2,6-dien-1-ol;docosanoic acid
CID 175327394
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
4-methylnon-3-en-1-amine
CID 79593569

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyldodeca-2,6-dien-1-ol?
The IUPAC name of (2E)-3,7-dimethyldodeca-2,6-dien-1-ol (CID 141351623) is (2E)-3,7-dimethyldodeca-2,6-dien-1-ol.
What is the SMILES notation for (2E)-3,7-dimethyldodeca-2,6-dien-1-ol?
The canonical SMILES for (2E)-3,7-dimethyldodeca-2,6-dien-1-ol is CCCCCC(C)=CCC/C(C)=C/CO.
What is the InChIKey of (2E)-3,7-dimethyldodeca-2,6-dien-1-ol?
The InChIKey is BSNJKWDYMXLKBM-ZNNSLDMCSA-N. The full InChI is InChI=1S/C14H26O/c1-4-5-6-8-13(2)9-7-10-14(3)11-12-15/h9,11,15H,4-8,10,12H2,1-3H3/b13-9?,14-11+.
What are the key properties of (2E)-3,7-dimethyldodeca-2,6-dien-1-ol?
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol has a molecular weight of 210.36 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyldodeca-2,6-dien-1-ol is sourced from PubChem (CID 141351623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).