4-methoxy-2-methylhexa-4,5-dien-3-ol

C8H14O2 — CID 130130298

IUPAC4-methoxy-2-methylhexa-4,5-dien-3-ol
SMILESC=C=C(OC)C(O)C(C)C
InChIInChI=1S/C8H14O2/c1-5-7(10-4)8(9)6(2)3/h6,8-9H,1H2,2-4H3
InChIKeySQFDEPKWAWCOIM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.32
Rot. Bonds3

About 4-methoxy-2-methylhexa-4,5-dien-3-ol

4-methoxy-2-methylhexa-4,5-dien-3-ol (PubChem CID 130130298) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-methoxy-2-methylhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name4-methoxy-2-methylhexa-4,5-dien-3-ol
PubChem CID130130298
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-methoxy-2-methylhexa-4,5-dien-3-ol
SMILESC=C=C(OC)C(O)C(C)C
InChIInChI=1S/C8H14O2/c1-5-7(10-4)8(9)6(2)3/h6,8-9H,1H2,2-4H3
InChIKeySQFDEPKWAWCOIM-UHFFFAOYSA-N
XLogP1.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-methoxy-2-methylhexa-4,5-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylhexa-4,5-dien-3-ol?
The IUPAC name of 4-methoxy-2-methylhexa-4,5-dien-3-ol (CID 130130298) is 4-methoxy-2-methylhexa-4,5-dien-3-ol.
What is the SMILES notation for 4-methoxy-2-methylhexa-4,5-dien-3-ol?
The canonical SMILES for 4-methoxy-2-methylhexa-4,5-dien-3-ol is C=C=C(OC)C(O)C(C)C.
What is the InChIKey of 4-methoxy-2-methylhexa-4,5-dien-3-ol?
The InChIKey is SQFDEPKWAWCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-7(10-4)8(9)6(2)3/h6,8-9H,1H2,2-4H3.
What are the key properties of 4-methoxy-2-methylhexa-4,5-dien-3-ol?
4-methoxy-2-methylhexa-4,5-dien-3-ol has a molecular weight of 142.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylhexa-4,5-dien-3-ol is sourced from PubChem (CID 130130298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).