3-ethoxypent-4-en-2-ol

C7H14O2 — CID 87233319

IUPAC3-ethoxypent-4-en-2-ol
SMILESC=CC(OCC)C(C)O
InChIInChI=1S/C7H14O2/c1-4-7(6(3)8)9-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeySXSWEXNGQSEFRY-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 3-ethoxypent-4-en-2-ol

3-ethoxypent-4-en-2-ol (PubChem CID 87233319) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-ethoxypent-4-en-2-ol.

Molecular Properties

Compound Name3-ethoxypent-4-en-2-ol
PubChem CID87233319
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-ethoxypent-4-en-2-ol
SMILESC=CC(OCC)C(C)O
InChIInChI=1S/C7H14O2/c1-4-7(6(3)8)9-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeySXSWEXNGQSEFRY-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxypent-4-en-2-ol?
The IUPAC name of 3-ethoxypent-4-en-2-ol (CID 87233319) is 3-ethoxypent-4-en-2-ol.
What is the SMILES notation for 3-ethoxypent-4-en-2-ol?
The canonical SMILES for 3-ethoxypent-4-en-2-ol is C=CC(OCC)C(C)O.
What is the InChIKey of 3-ethoxypent-4-en-2-ol?
The InChIKey is SXSWEXNGQSEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(6(3)8)9-5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 3-ethoxypent-4-en-2-ol?
3-ethoxypent-4-en-2-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 3-ethoxypent-4-en-2-ol is sourced from PubChem (CID 87233319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).