4-ethoxypent-1-en-3-ol

C7H14O2 — CID 88833041

IUPAC4-ethoxypent-1-en-3-ol
SMILESC=CC(O)C(C)OCC
InChIInChI=1S/C7H14O2/c1-4-7(8)6(3)9-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyHOPBRYSLBLEJAS-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.96
Rot. Bonds4

About 4-ethoxypent-1-en-3-ol

4-ethoxypent-1-en-3-ol (PubChem CID 88833041) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4-ethoxypent-1-en-3-ol.

Molecular Properties

Compound Name4-ethoxypent-1-en-3-ol
PubChem CID88833041
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4-ethoxypent-1-en-3-ol
SMILESC=CC(O)C(C)OCC
InChIInChI=1S/C7H14O2/c1-4-7(8)6(3)9-5-2/h4,6-8H,1,5H2,2-3H3
InChIKeyHOPBRYSLBLEJAS-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 4-ethoxypent-1-en-3-ol?
The IUPAC name of 4-ethoxypent-1-en-3-ol (CID 88833041) is 4-ethoxypent-1-en-3-ol.
What is the SMILES notation for 4-ethoxypent-1-en-3-ol?
The canonical SMILES for 4-ethoxypent-1-en-3-ol is C=CC(O)C(C)OCC.
What is the InChIKey of 4-ethoxypent-1-en-3-ol?
The InChIKey is HOPBRYSLBLEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(8)6(3)9-5-2/h4,6-8H,1,5H2,2-3H3.
What are the key properties of 4-ethoxypent-1-en-3-ol?
4-ethoxypent-1-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-ethoxypent-1-en-3-ol is sourced from PubChem (CID 88833041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).