(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol

C15H26O3 — CID 5367918

IUPAC(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/COC1CCCCO1)CO
InChIInChI=1S/C15H26O3/c1-13(6-5-7-14(2)12-16)9-11-18-15-8-3-4-10-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9+,14-7+
InChIKeyGFZATMJPDSJPDS-BTLVJFLNSA-N
MW254.37 g/mol
LogP3.19
Rot. Bonds7

About (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol

(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol (PubChem CID 5367918) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
PubChem CID5367918
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/COC1CCCCO1)CO
InChIInChI=1S/C15H26O3/c1-13(6-5-7-14(2)12-16)9-11-18-15-8-3-4-10-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9+,14-7+
InChIKeyGFZATMJPDSJPDS-BTLVJFLNSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol (CID 5367918) is (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol is C/C(=C\CC/C(C)=C/COC1CCCCO1)CO.
What is the InChIKey of (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The InChIKey is GFZATMJPDSJPDS-BTLVJFLNSA-N. The full InChI is InChI=1S/C15H26O3/c1-13(6-5-7-14(2)12-16)9-11-18-15-8-3-4-10-17-15/h7,9,15-16H,3-6,8,10-12H2,1-2H3/b13-9+,14-7+.
What are the key properties of (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
(2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol has a molecular weight of 254.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol is sourced from PubChem (CID 5367918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).