(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol

C13H24O — CID 6434518

IUPAC(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)CC(C)C
InChIInChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8+
InChIKeyXVNDKDXSDQQJTO-XYOKQWHBSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds6

About (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol

(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol (PubChem CID 6434518) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol.

Molecular Properties

Compound Name(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
PubChem CID6434518
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol
SMILESC=CC(C)(O)CC/C=C(\C)CC(C)C
InChIInChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8+
InChIKeyXVNDKDXSDQQJTO-XYOKQWHBSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E)-3,7,9-trimethyldeca-1,6-dien-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

Linalool
CID 6549
Nerolidol
CID 5284507
Linalool, (+)-
CID 67179
(-)-Linalool
CID 443158
Geranyllinalool
CID 5365872
Peruviol
CID 5356544
Dihydrolinalool
CID 86749
Ethyl linalool
CID 6433547
1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-
CID 5320128
2,6-Dimethyl-5,7-octadien-2-ol
CID 22303
(3S,6E)-Nerolidol
CID 5281525
3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
CID 8888

Frequently Asked Questions

What is the IUPAC name of (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol?
The IUPAC name of (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol (CID 6434518) is (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol.
What is the SMILES notation for (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol?
The canonical SMILES for (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol is C=CC(C)(O)CC/C=C(\C)CC(C)C.
What is the InChIKey of (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol?
The InChIKey is XVNDKDXSDQQJTO-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8+.
What are the key properties of (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol?
(6E)-3,7,9-trimethyldeca-1,6-dien-3-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7,9-trimethyldeca-1,6-dien-3-ol is sourced from PubChem (CID 6434518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).