2-ethenoxypent-1-ene

C7H12O — CID 18620244

IUPAC2-ethenoxypent-1-ene
SMILESC=COC(=C)CCC
InChIInChI=1S/C7H12O/c1-4-6-7(3)8-5-2/h5H,2-4,6H2,1H3
InChIKeyXMKBIQTUSWOTME-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.46
Rot. Bonds4

About 2-ethenoxypent-1-ene

2-ethenoxypent-1-ene (PubChem CID 18620244) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 2-ethenoxypent-1-ene.

Molecular Properties

Compound Name2-ethenoxypent-1-ene
PubChem CID18620244
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name2-ethenoxypent-1-ene
SMILESC=COC(=C)CCC
InChIInChI=1S/C7H12O/c1-4-6-7(3)8-5-2/h5H,2-4,6H2,1H3
InChIKeyXMKBIQTUSWOTME-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenoxypent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxypent-1-ene?
The IUPAC name of 2-ethenoxypent-1-ene (CID 18620244) is 2-ethenoxypent-1-ene.
What is the SMILES notation for 2-ethenoxypent-1-ene?
The canonical SMILES for 2-ethenoxypent-1-ene is C=COC(=C)CCC.
What is the InChIKey of 2-ethenoxypent-1-ene?
The InChIKey is XMKBIQTUSWOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-4-6-7(3)8-5-2/h5H,2-4,6H2,1H3.
What are the key properties of 2-ethenoxypent-1-ene?
2-ethenoxypent-1-ene has a molecular weight of 112.17 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxypent-1-ene is sourced from PubChem (CID 18620244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).