(3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol

C14H24O — CID 162856916

IUPAC(3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol
SMILESC=C[C@H](O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H24O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h5,8,10,14-15H,1,6-7,9,11H2,2-4H3/b13-10+/t14-/m0/s1
InChIKeyWASNIKZYIWZQIP-UELRPHRMSA-N
MW208.34 g/mol
LogP4.01
Rot. Bonds7

About (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol

(3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol (PubChem CID 162856916) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol.

Molecular Properties

Compound Name(3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol
PubChem CID162856916
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol
SMILESC=C[C@H](O)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H24O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h5,8,10,14-15H,1,6-7,9,11H2,2-4H3/b13-10+/t14-/m0/s1
InChIKeyWASNIKZYIWZQIP-UELRPHRMSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Geraniol
CID 637566
Farnesol
CID 445070
Nerol
CID 643820
(2-cis,6-trans)-Farnesol
CID 1549108
6-Methyl-5-hepten-2-ol
CID 20745
2-Octen-4-ol, (2E)-
CID 5366203
4,8-Dimethyl-3,7-nonadien-2-ol
CID 5365818
3-Octen-2-ol
CID 42538
2,6-Dimethylocta-1,5,7-trien-3-ol
CID 5362854
2,6-Dimethyl-2,6-octadiene-1,8-diol, (2E,6E)-
CID 5363397
Ipsdienol
CID 92301
3,7-Dimethyl-2,6-octadienol
CID 4458

Frequently Asked Questions

What is the IUPAC name of (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol?
The IUPAC name of (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol (CID 162856916) is (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol.
What is the SMILES notation for (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol?
The canonical SMILES for (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol is C=C[C@H](O)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol?
The InChIKey is WASNIKZYIWZQIP-UELRPHRMSA-N. The full InChI is InChI=1S/C14H24O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h5,8,10,14-15H,1,6-7,9,11H2,2-4H3/b13-10+/t14-/m0/s1.
What are the key properties of (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol?
(3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol has a molecular weight of 208.34 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E)-7,11-dimethyldodeca-1,6,10-trien-3-ol is sourced from PubChem (CID 162856916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).