(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol

C20H32O2 — CID 67580271

IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol
SMILESCC(C)=CCC/C(C)=C/CO.Cc1ccc(C(C)C)c(O)c1
InChIInChI=1S/C10H14O.C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11;1-9(2)5-4-6-10(3)7-8-11/h4-7,11H,1-3H3;5,7,11H,4,6,8H2,1-3H3/b;10-7+
InChIKeyXZKFWUXRPURAFB-FXRCEOBJSA-N
MW304.47 g/mol
LogP5.50
Rot. Bonds5

About (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol

(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol (PubChem CID 67580271) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol
PubChem CID67580271
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol
SMILESCC(C)=CCC/C(C)=C/CO.Cc1ccc(C(C)C)c(O)c1
InChIInChI=1S/C10H14O.C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11;1-9(2)5-4-6-10(3)7-8-11/h4-7,11H,1-3H3;5,7,11H,4,6,8H2,1-3H3/b;10-7+
InChIKeyXZKFWUXRPURAFB-FXRCEOBJSA-N
XLogP5.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol 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)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol?
The IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol (CID 67580271) is (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol?
The canonical SMILES for (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol is CC(C)=CCC/C(C)=C/CO.Cc1ccc(C(C)C)c(O)c1.
What is the InChIKey of (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol?
The InChIKey is XZKFWUXRPURAFB-FXRCEOBJSA-N. The full InChI is InChI=1S/C10H14O.C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11;1-9(2)5-4-6-10(3)7-8-11/h4-7,11H,1-3H3;5,7,11H,4,6,8H2,1-3H3/b;10-7+.
What are the key properties of (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol?
(2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol has a molecular weight of 304.47 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,6-dien-1-ol;5-methyl-2-propan-2-ylphenol is sourced from PubChem (CID 67580271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).