2-ethenoxypentane

C7H14O — CID 19748709

IUPAC2-ethenoxypentane
SMILESC=COC(C)CCC
InChIInChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyQJGHRYRSEQRPSL-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.34
Rot. Bonds4

About 2-ethenoxypentane

2-ethenoxypentane (PubChem CID 19748709) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 2-ethenoxypentane.

Molecular Properties

Compound Name2-ethenoxypentane
PubChem CID19748709
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name2-ethenoxypentane
SMILESC=COC(C)CCC
InChIInChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h5,7H,2,4,6H2,1,3H3
InChIKeyQJGHRYRSEQRPSL-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenoxypentane 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-ethenoxypentane?
The IUPAC name of 2-ethenoxypentane (CID 19748709) is 2-ethenoxypentane.
What is the SMILES notation for 2-ethenoxypentane?
The canonical SMILES for 2-ethenoxypentane is C=COC(C)CCC.
What is the InChIKey of 2-ethenoxypentane?
The InChIKey is QJGHRYRSEQRPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-4-6-7(3)8-5-2/h5,7H,2,4,6H2,1,3H3.
What are the key properties of 2-ethenoxypentane?
2-ethenoxypentane has a molecular weight of 114.19 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxypentane is sourced from PubChem (CID 19748709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).