4-methoxyhex-5-en-3-ol

C7H14O2 — CID 12755463

IUPAC4-methoxyhex-5-en-3-ol
SMILESC=CC(OC)C(O)CC
InChIInChI=1S/C7H14O2/c1-4-6(8)7(5-2)9-3/h5-8H,2,4H2,1,3H3
InChIKeyBBPYKUCDWIFQBG-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 4-methoxyhex-5-en-3-ol

4-methoxyhex-5-en-3-ol (PubChem CID 12755463) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-methoxyhex-5-en-3-ol.

Molecular Properties

Compound Name4-methoxyhex-5-en-3-ol
PubChem CID12755463
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-methoxyhex-5-en-3-ol
SMILESC=CC(OC)C(O)CC
InChIInChI=1S/C7H14O2/c1-4-6(8)7(5-2)9-3/h5-8H,2,4H2,1,3H3
InChIKeyBBPYKUCDWIFQBG-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxyhex-5-en-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

2-Methoxy-3-buten-1-OL
CID 2735078
2-[(But-3-en-2-yl)oxy]ethan-1-ol
CID 14693003
3-Ethen yl-2-oxiranemethanol
CID 14282994
InChI=1/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s
CID 5324178
(2R)-2-methoxybut-3-en-1-ol
CID 8063406
1-Hexene-4,5-diol
CID 11137138
[(2R,3R)-3-ethenyloxiran-2-yl]methanol
CID 11480405
2-Methoxy-3-cyclohexen-1-ol
CID 13447771
1-Prop-2-enoxybutan-2-ol
CID 14833240
(1R)-1-(2,3-dihydrofuran-2-yl)ethanol
CID 89032253
2,2'-Oxybis-3-buten-1-OL
CID 55097
Hept-6-ene-3,4-diol
CID 73152492

Frequently Asked Questions

What is the IUPAC name of 4-methoxyhex-5-en-3-ol?
The IUPAC name of 4-methoxyhex-5-en-3-ol (CID 12755463) is 4-methoxyhex-5-en-3-ol.
What is the SMILES notation for 4-methoxyhex-5-en-3-ol?
The canonical SMILES for 4-methoxyhex-5-en-3-ol is C=CC(OC)C(O)CC.
What is the InChIKey of 4-methoxyhex-5-en-3-ol?
The InChIKey is BBPYKUCDWIFQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6(8)7(5-2)9-3/h5-8H,2,4H2,1,3H3.
What are the key properties of 4-methoxyhex-5-en-3-ol?
4-methoxyhex-5-en-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyhex-5-en-3-ol is sourced from PubChem (CID 12755463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).