1-ethoxy-2-methylprop-1-ene

C6H12O — CID 11051587

IUPAC1-ethoxy-2-methylprop-1-ene
SMILESCCOC=C(C)C
InChIInChI=1S/C6H12O/c1-4-7-5-6(2)3/h5H,4H2,1-3H3
InChIKeyIHCLUFSKPOJGDC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.95
Rot. Bonds2

About 1-ethoxy-2-methylprop-1-ene

1-ethoxy-2-methylprop-1-ene (PubChem CID 11051587) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-ethoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name1-ethoxy-2-methylprop-1-ene
PubChem CID11051587
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name1-ethoxy-2-methylprop-1-ene
SMILESCCOC=C(C)C
InChIInChI=1S/C6H12O/c1-4-7-5-6(2)3/h5H,4H2,1-3H3
InChIKeyIHCLUFSKPOJGDC-UHFFFAOYSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-2-methylprop-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 1-ethoxy-2-methylprop-1-ene?
The IUPAC name of 1-ethoxy-2-methylprop-1-ene (CID 11051587) is 1-ethoxy-2-methylprop-1-ene.
What is the SMILES notation for 1-ethoxy-2-methylprop-1-ene?
The canonical SMILES for 1-ethoxy-2-methylprop-1-ene is CCOC=C(C)C.
What is the InChIKey of 1-ethoxy-2-methylprop-1-ene?
The InChIKey is IHCLUFSKPOJGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-7-5-6(2)3/h5H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2-methylprop-1-ene?
1-ethoxy-2-methylprop-1-ene has a molecular weight of 100.16 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylprop-1-ene is sourced from PubChem (CID 11051587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).