2-ethenoxypent-1-ene-3,3-diol

C7H12O3 — CID 141053305

IUPAC2-ethenoxypent-1-ene-3,3-diol
SMILESC=COC(=C)C(O)(O)CC
InChIInChI=1S/C7H12O3/c1-4-7(8,9)6(3)10-5-2/h5,8-9H,2-4H2,1H3
InChIKeyVOHFNOZJUXGRHW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds4

About 2-ethenoxypent-1-ene-3,3-diol

2-ethenoxypent-1-ene-3,3-diol (PubChem CID 141053305) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-ethenoxypent-1-ene-3,3-diol.

Molecular Properties

Compound Name2-ethenoxypent-1-ene-3,3-diol
PubChem CID141053305
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-ethenoxypent-1-ene-3,3-diol
SMILESC=COC(=C)C(O)(O)CC
InChIInChI=1S/C7H12O3/c1-4-7(8,9)6(3)10-5-2/h5,8-9H,2-4H2,1H3
InChIKeyVOHFNOZJUXGRHW-UHFFFAOYSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethenoxypent-1-ene-3,3-diol 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-ethenoxyprop-2-ene-1,1,1-triol
CID 141084890
2-ethenoxy-4,4-dimethylpent-1-ene-3,3-diol
CID 141053307
3-ethyl-2-methoxypent-1-en-3-ol
CID 89149604
3,3-difluoro-2-methoxypent-1-ene
CID 143721934
ethenyl 2-(hydroxymethyl)-2-methylbutanoate
CID 58709244
propane-1,1,1-triol;3-prop-2-enoxyprop-1-ene
CID 175245535
3-ethylpenta-1,4-dien-3-ol
CID 131852756
2,2-dihydroxybutanamide
CID 22465138
ethanol;ethenyl acetate
CID 87099759
3-ethylhex-4-en-3-ol
CID 54219311
ethenyl 4-ethenyl-3-ethyl-4-hydroxyhex-5-enoate
CID 139796443
O-ethenyl hexacosanethioate
CID 139759162

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxypent-1-ene-3,3-diol?
The IUPAC name of 2-ethenoxypent-1-ene-3,3-diol (CID 141053305) is 2-ethenoxypent-1-ene-3,3-diol.
What is the SMILES notation for 2-ethenoxypent-1-ene-3,3-diol?
The canonical SMILES for 2-ethenoxypent-1-ene-3,3-diol is C=COC(=C)C(O)(O)CC.
What is the InChIKey of 2-ethenoxypent-1-ene-3,3-diol?
The InChIKey is VOHFNOZJUXGRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-7(8,9)6(3)10-5-2/h5,8-9H,2-4H2,1H3.
What are the key properties of 2-ethenoxypent-1-ene-3,3-diol?
2-ethenoxypent-1-ene-3,3-diol has a molecular weight of 144.17 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxypent-1-ene-3,3-diol is sourced from PubChem (CID 141053305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).