4-methoxyhexa-4,5-dien-3-ol

C7H12O2 — CID 44719796

IUPAC4-methoxyhexa-4,5-dien-3-ol
SMILESC=C=C(OC)C(O)CC
InChIInChI=1S/C7H12O2/c1-4-6(8)7(5-2)9-3/h6,8H,2,4H2,1,3H3
InChIKeyUXHDWGSPKGWTJA-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.07
Rot. Bonds3

About 4-methoxyhexa-4,5-dien-3-ol

4-methoxyhexa-4,5-dien-3-ol (PubChem CID 44719796) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methoxyhexa-4,5-dien-3-ol.

Molecular Properties

Compound Name4-methoxyhexa-4,5-dien-3-ol
PubChem CID44719796
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methoxyhexa-4,5-dien-3-ol
SMILESC=C=C(OC)C(O)CC
InChIInChI=1S/C7H12O2/c1-4-6(8)7(5-2)9-3/h6,8H,2,4H2,1,3H3
InChIKeyUXHDWGSPKGWTJA-UHFFFAOYSA-N
XLogP1.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxyhexa-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

Related Compounds

3-Methoxy-3-buten-2-ol
CID 85624637
1,2,3-Pentenetriol
CID 129859736
4-Methoxy-2-methylhexa-4,5-dien-3-ol
CID 130130298
2-(3-Hydroxypent-1-en-2-yloxy)pent-1-en-3-ol
CID 18786251
3-Hydroxy-2-methoxy-1-hexen-5-yne
CID 20152331
2-(3-Hydroxyhex-1-en-2-yloxy)hex-1-en-3-ol
CID 21258651
2-Methylideneoxolan-3-ol
CID 59525132
(1S)-1-(oxiren-2-yl)propan-1-ol
CID 70404951
(1R)-1-(oxiren-2-yl)propan-1-ol
CID 70405728
Pent-1-ene-2,3-diol
CID 87754031
2-[2-(2-Hydroxyethoxy)ethoxy]pent-1-en-3-ol
CID 88371376
5-Bromo-2-methoxypent-1-en-3-ol
CID 88885346

Frequently Asked Questions

What is the IUPAC name of 4-methoxyhexa-4,5-dien-3-ol?
The IUPAC name of 4-methoxyhexa-4,5-dien-3-ol (CID 44719796) is 4-methoxyhexa-4,5-dien-3-ol.
What is the SMILES notation for 4-methoxyhexa-4,5-dien-3-ol?
The canonical SMILES for 4-methoxyhexa-4,5-dien-3-ol is C=C=C(OC)C(O)CC.
What is the InChIKey of 4-methoxyhexa-4,5-dien-3-ol?
The InChIKey is UXHDWGSPKGWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-4-6(8)7(5-2)9-3/h6,8H,2,4H2,1,3H3.
What are the key properties of 4-methoxyhexa-4,5-dien-3-ol?
4-methoxyhexa-4,5-dien-3-ol has a molecular weight of 128.17 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyhexa-4,5-dien-3-ol is sourced from PubChem (CID 44719796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).