[(Z)-hex-3-enyl] 4-chlorobutanoate

C10H17ClO2 — CID 5352584

IUPAC[(Z)-hex-3-enyl] 4-chlorobutanoate
SMILESCC/C=C\CCOC(=O)CCCCl
InChIInChI=1S/C10H17ClO2/c1-2-3-4-5-9-13-10(12)7-6-8-11/h3-4H,2,5-9H2,1H3/b4-3-
InChIKeyJAWDGGOEFQDOMJ-ARJAWSKDSA-N
MW204.70 g/mol
LogP2.90
Rot. Bonds7

About [(Z)-hex-3-enyl] 4-chlorobutanoate

[(Z)-hex-3-enyl] 4-chlorobutanoate (PubChem CID 5352584) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 4-chlorobutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 4-chlorobutanoate
PubChem CID5352584
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name[(Z)-hex-3-enyl] 4-chlorobutanoate
SMILESCC/C=C\CCOC(=O)CCCCl
InChIInChI=1S/C10H17ClO2/c1-2-3-4-5-9-13-10(12)7-6-8-11/h3-4H,2,5-9H2,1H3/b4-3-
InChIKeyJAWDGGOEFQDOMJ-ARJAWSKDSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Succinic acid, monochloride cis-hex-3-enyl ester
CID 91697802
9-Chloro-(z)-5-nonenyl acetate
CID 15705026
Butanoic acid, 2-chloro, 3-butenyl ester
CID 527680
Butanoic acid, 3-chloro, 3-butenyl ester
CID 527692
Butanoic acid, 3-chloro, 4-pentenyl ester
CID 527693
Butanoic acid, 4-chloro, 1-methyl-3-butenyl ester
CID 527698
Butanoic acid, 4-chloro, 3-butenyl ester
CID 527703
Butanoic acid, 4-chloro, 4-pentenyl ester
CID 527704
Butanoic acid, 2-chloro, (E)-3-hexenyl ester
CID 5352579
Butanoic acid, 2-chloro, (Z)-3-hexenyl ester
CID 5352580
Butanoic acid, 3-chloro, (E)-3-hexenyl ester
CID 5352581
Butanoic acid, 3-chloro, (Z)-3-hexenyl ester
CID 5352582

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 4-chlorobutanoate?
The IUPAC name of [(Z)-hex-3-enyl] 4-chlorobutanoate (CID 5352584) is [(Z)-hex-3-enyl] 4-chlorobutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 4-chlorobutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 4-chlorobutanoate is CC/C=C\CCOC(=O)CCCCl.
What is the InChIKey of [(Z)-hex-3-enyl] 4-chlorobutanoate?
The InChIKey is JAWDGGOEFQDOMJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-2-3-4-5-9-13-10(12)7-6-8-11/h3-4H,2,5-9H2,1H3/b4-3-.
What are the key properties of [(Z)-hex-3-enyl] 4-chlorobutanoate?
[(Z)-hex-3-enyl] 4-chlorobutanoate has a molecular weight of 204.70 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 4-chlorobutanoate is sourced from PubChem (CID 5352584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).