(E)-3-chloro-1-methoxyprop-1-ene

C4H7ClO — CID 15570605

IUPAC(E)-3-chloro-1-methoxyprop-1-ene
SMILESCO/C=C/CCl
InChIInChI=1S/C4H7ClO/c1-6-4-2-3-5/h2,4H,3H2,1H3/b4-2+
InChIKeyJDKKBMPFXNGAEQ-DUXPYHPUSA-N
MW106.55 g/mol
LogP1.39
Rot. Bonds2

About (E)-3-chloro-1-methoxyprop-1-ene

(E)-3-chloro-1-methoxyprop-1-ene (PubChem CID 15570605) has the molecular formula C4H7ClO and a molecular weight of 106.55 g/mol. Its IUPAC name is (E)-3-chloro-1-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-3-chloro-1-methoxyprop-1-ene
PubChem CID15570605
Molecular FormulaC4H7ClO
Molecular Weight106.55 g/mol
Exact Mass106.02
IUPAC Name(E)-3-chloro-1-methoxyprop-1-ene
SMILESCO/C=C/CCl
InChIInChI=1S/C4H7ClO/c1-6-4-2-3-5/h2,4H,3H2,1H3/b4-2+
InChIKeyJDKKBMPFXNGAEQ-DUXPYHPUSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-1-methoxyprop-1-ene?
The IUPAC name of (E)-3-chloro-1-methoxyprop-1-ene (CID 15570605) is (E)-3-chloro-1-methoxyprop-1-ene.
What is the SMILES notation for (E)-3-chloro-1-methoxyprop-1-ene?
The canonical SMILES for (E)-3-chloro-1-methoxyprop-1-ene is CO/C=C/CCl.
What is the InChIKey of (E)-3-chloro-1-methoxyprop-1-ene?
The InChIKey is JDKKBMPFXNGAEQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H7ClO/c1-6-4-2-3-5/h2,4H,3H2,1H3/b4-2+.
What are the key properties of (E)-3-chloro-1-methoxyprop-1-ene?
(E)-3-chloro-1-methoxyprop-1-ene has a molecular weight of 106.55 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-1-methoxyprop-1-ene is sourced from PubChem (CID 15570605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).