[(E)-3-chloroprop-2-enyl] formate

C4H5ClO2 — CID 19841665

IUPAC[(E)-3-chloroprop-2-enyl] formate
SMILESO=COC/C=C/Cl
InChIInChI=1S/C4H5ClO2/c5-2-1-3-7-4-6/h1-2,4H,3H2/b2-1+
InChIKeyPXYKHPAGTGVQSD-OWOJBTEDSA-N
MW120.53 g/mol
LogP0.91
Rot. Bonds3

About [(E)-3-chloroprop-2-enyl] formate

[(E)-3-chloroprop-2-enyl] formate (PubChem CID 19841665) has the molecular formula C4H5ClO2 and a molecular weight of 120.53 g/mol. Its IUPAC name is [(E)-3-chloroprop-2-enyl] formate.

Molecular Properties

Compound Name[(E)-3-chloroprop-2-enyl] formate
PubChem CID19841665
Molecular FormulaC4H5ClO2
Molecular Weight120.53 g/mol
Exact Mass120.00
IUPAC Name[(E)-3-chloroprop-2-enyl] formate
SMILESO=COC/C=C/Cl
InChIInChI=1S/C4H5ClO2/c5-2-1-3-7-4-6/h1-2,4H,3H2/b2-1+
InChIKeyPXYKHPAGTGVQSD-OWOJBTEDSA-N
XLogP0.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.53
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-oxobut-2-enyl formate
CID 175038246
(E)-5-formyloxypent-3-enoic acid
CID 55302724
copper;prop-2-enyl formate
CID 88526438
O-[(Z)-3-chloroprop-2-enyl]hydroxylamine
CID 13282637
4-(4-chlorophenyl)but-2-enyl formate
CID 91308885
(2Z)-2-[(E)-3-chloroprop-2-enoxy]iminopropanal
CID 141216845
prop-2-enyl 4-formyloxybut-2-enoate
CID 173056618
3-(2,4-dichlorophenyl)prop-2-enyl formate
CID 90884165
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
6-(4-chlorophenyl)hex-2-enyl formate
CID 90984079
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-enyl formate
CID 91093916
3-chloroprop-2-enyl trifluoromethanesulfonate
CID 87864417

Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-2-enyl] formate?
The IUPAC name of [(E)-3-chloroprop-2-enyl] formate (CID 19841665) is [(E)-3-chloroprop-2-enyl] formate.
What is the SMILES notation for [(E)-3-chloroprop-2-enyl] formate?
The canonical SMILES for [(E)-3-chloroprop-2-enyl] formate is O=COC/C=C/Cl.
What is the InChIKey of [(E)-3-chloroprop-2-enyl] formate?
The InChIKey is PXYKHPAGTGVQSD-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H5ClO2/c5-2-1-3-7-4-6/h1-2,4H,3H2/b2-1+.
What are the key properties of [(E)-3-chloroprop-2-enyl] formate?
[(E)-3-chloroprop-2-enyl] formate has a molecular weight of 120.53 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloroprop-2-enyl] formate is sourced from PubChem (CID 19841665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).