3-chloro-3-methoxyprop-1-ene

C4H7ClO — CID 10240780

IUPAC3-chloro-3-methoxyprop-1-ene
SMILESC=CC(Cl)OC
InChIInChI=1S/C4H7ClO/c1-3-4(5)6-2/h3-4H,1H2,2H3
InChIKeyXEEWLRBZPXLEMI-UHFFFAOYSA-N
MW106.55 g/mol
LogP1.38
Rot. Bonds2

About 3-chloro-3-methoxyprop-1-ene

3-chloro-3-methoxyprop-1-ene (PubChem CID 10240780) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is 3-chloro-3-methoxyprop-1-ene.

Molecular Properties

Compound Name3-chloro-3-methoxyprop-1-ene
PubChem CID10240780
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name3-chloro-3-methoxyprop-1-ene
SMILESC=CC(Cl)OC
InChIInChI=1S/C4H7ClO/c1-3-4(5)6-2/h3-4H,1H2,2H3
InChIKeyXEEWLRBZPXLEMI-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.55
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-methoxyprop-1-ene?
The IUPAC name of 3-chloro-3-methoxyprop-1-ene (CID 10240780) is 3-chloro-3-methoxyprop-1-ene.
What is the SMILES notation for 3-chloro-3-methoxyprop-1-ene?
The canonical SMILES for 3-chloro-3-methoxyprop-1-ene is C=CC(Cl)OC.
What is the InChIKey of 3-chloro-3-methoxyprop-1-ene?
The InChIKey is XEEWLRBZPXLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO/c1-3-4(5)6-2/h3-4H,1H2,2H3.
What are the key properties of 3-chloro-3-methoxyprop-1-ene?
3-chloro-3-methoxyprop-1-ene has a molecular weight of 106.55 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-methoxyprop-1-ene is sourced from PubChem (CID 10240780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).