(E)-1-(chloromethoxy)but-1-ene

C5H9ClO — CID 21225599

IUPAC(E)-1-(chloromethoxy)but-1-ene
SMILESCC/C=C/OCCl
InChIInChI=1S/C5H9ClO/c1-2-3-4-7-5-6/h3-4H,2,5H2,1H3/b4-3+
InChIKeyFZPHKFHNEVUSEN-ONEGZZNKSA-N
MW120.58 g/mol
LogP2.12
Rot. Bonds3

About (E)-1-(chloromethoxy)but-1-ene

(E)-1-(chloromethoxy)but-1-ene (PubChem CID 21225599) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is (E)-1-(chloromethoxy)but-1-ene.

Molecular Properties

Compound Name(E)-1-(chloromethoxy)but-1-ene
PubChem CID21225599
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name(E)-1-(chloromethoxy)but-1-ene
SMILESCC/C=C/OCCl
InChIInChI=1S/C5H9ClO/c1-2-3-4-7-5-6/h3-4H,2,5H2,1H3/b4-3+
InChIKeyFZPHKFHNEVUSEN-ONEGZZNKSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 52.12
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)-1-(chloromethoxy)but-1-ene?
The IUPAC name of (E)-1-(chloromethoxy)but-1-ene (CID 21225599) is (E)-1-(chloromethoxy)but-1-ene.
What is the SMILES notation for (E)-1-(chloromethoxy)but-1-ene?
The canonical SMILES for (E)-1-(chloromethoxy)but-1-ene is CC/C=C/OCCl.
What is the InChIKey of (E)-1-(chloromethoxy)but-1-ene?
The InChIKey is FZPHKFHNEVUSEN-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9ClO/c1-2-3-4-7-5-6/h3-4H,2,5H2,1H3/b4-3+.
What are the key properties of (E)-1-(chloromethoxy)but-1-ene?
(E)-1-(chloromethoxy)but-1-ene has a molecular weight of 120.58 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(chloromethoxy)but-1-ene is sourced from PubChem (CID 21225599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).