(E)-1-chloro-3-methoxy-2-methylprop-1-ene

C5H9ClO — CID 6382159

IUPAC(E)-1-chloro-3-methoxy-2-methylprop-1-ene
SMILESCOC/C(C)=C/Cl
InChIInChI=1S/C5H9ClO/c1-5(3-6)4-7-2/h3H,4H2,1-2H3/b5-3+
InChIKeyGAOGDWJPCWMVAG-HWKANZROSA-N
MW120.58 g/mol
LogP1.78
Rot. Bonds2

About (E)-1-chloro-3-methoxy-2-methylprop-1-ene

(E)-1-chloro-3-methoxy-2-methylprop-1-ene (PubChem CID 6382159) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is (E)-1-chloro-3-methoxy-2-methylprop-1-ene.

Molecular Properties

Compound Name(E)-1-chloro-3-methoxy-2-methylprop-1-ene
PubChem CID6382159
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name(E)-1-chloro-3-methoxy-2-methylprop-1-ene
SMILESCOC/C(C)=C/Cl
InChIInChI=1S/C5H9ClO/c1-5(3-6)4-7-2/h3H,4H2,1-2H3/b5-3+
InChIKeyGAOGDWJPCWMVAG-HWKANZROSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (E)-1-chloro-3-methoxy-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 (E)-1-chloro-3-methoxy-2-methylprop-1-ene?
The IUPAC name of (E)-1-chloro-3-methoxy-2-methylprop-1-ene (CID 6382159) is (E)-1-chloro-3-methoxy-2-methylprop-1-ene.
What is the SMILES notation for (E)-1-chloro-3-methoxy-2-methylprop-1-ene?
The canonical SMILES for (E)-1-chloro-3-methoxy-2-methylprop-1-ene is COC/C(C)=C/Cl.
What is the InChIKey of (E)-1-chloro-3-methoxy-2-methylprop-1-ene?
The InChIKey is GAOGDWJPCWMVAG-HWKANZROSA-N. The full InChI is InChI=1S/C5H9ClO/c1-5(3-6)4-7-2/h3H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-1-chloro-3-methoxy-2-methylprop-1-ene?
(E)-1-chloro-3-methoxy-2-methylprop-1-ene has a molecular weight of 120.58 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-3-methoxy-2-methylprop-1-ene is sourced from PubChem (CID 6382159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).