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

C7H11ClO2 — CID 5353089

IUPAC[(E)-3-chloroprop-2-enyl] butanoate
SMILESCCCC(=O)OC/C=C/Cl
InChIInChI=1S/C7H11ClO2/c1-2-4-7(9)10-6-3-5-8/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyRVCJBAWEOOBVCN-HWKANZROSA-N
MW162.62 g/mol
LogP2.08
Rot. Bonds4

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

[(E)-3-chloroprop-2-enyl] butanoate (PubChem CID 5353089) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is [(E)-3-chloroprop-2-enyl] butanoate.

Molecular Properties

Compound Name[(E)-3-chloroprop-2-enyl] butanoate
PubChem CID5353089
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name[(E)-3-chloroprop-2-enyl] butanoate
SMILESCCCC(=O)OC/C=C/Cl
InChIInChI=1S/C7H11ClO2/c1-2-4-7(9)10-6-3-5-8/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyRVCJBAWEOOBVCN-HWKANZROSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Allyl butyrate
CID 16324
2-Propenoic acid, butyl ester, polymer with chloroethene
CID 168409
Allyl 2-chloropropionate
CID 521613
(2E)-4-chlorobut-2-en-1-yl acetate
CID 10964669
Chloroethene;ethyl prop-2-enoate
CID 20266290
Propanoic acid, 3-chloro, 2-propenyl ester
CID 523729
Butanoic acid, 4-chloro, 2-propenyl ester
CID 527701
Ethyl (4z)-5-chloropent-4-enoate
CID 129770111
3-Chloroprop-2-enyl acetate
CID 241751
(2Z)-4-chloro-2-butenyl acetate
CID 12255222
2-Propen-1-ol, 1-chloro-, acetate
CID 21390025
1-Acetoxy-4-chloro but-2-ene
CID 53953758

Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-2-enyl] butanoate?
The IUPAC name of [(E)-3-chloroprop-2-enyl] butanoate (CID 5353089) is [(E)-3-chloroprop-2-enyl] butanoate.
What is the SMILES notation for [(E)-3-chloroprop-2-enyl] butanoate?
The canonical SMILES for [(E)-3-chloroprop-2-enyl] butanoate is CCCC(=O)OC/C=C/Cl.
What is the InChIKey of [(E)-3-chloroprop-2-enyl] butanoate?
The InChIKey is RVCJBAWEOOBVCN-HWKANZROSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-2-4-7(9)10-6-3-5-8/h3,5H,2,4,6H2,1H3/b5-3+.
What are the key properties of [(E)-3-chloroprop-2-enyl] butanoate?
[(E)-3-chloroprop-2-enyl] butanoate has a molecular weight of 162.62 g/mol, XLogP of 2.08, 4 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] butanoate is sourced from PubChem (CID 5353089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).