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

C10H17ClO2 — CID 5352582

IUPAC[(Z)-hex-3-enyl] 3-chlorobutanoate
SMILESCC/C=C\CCOC(=O)CC(C)Cl
InChIInChI=1S/C10H17ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9H,3,6-8H2,1-2H3/b5-4-
InChIKeyTZCFURZQKLRBPP-PLNGDYQASA-N
MW204.70 g/mol
LogP2.90
Rot. Bonds6

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

[(Z)-hex-3-enyl] 3-chlorobutanoate (PubChem CID 5352582) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is [(Z)-hex-3-enyl] 3-chlorobutanoate.

Molecular Properties

Compound Name[(Z)-hex-3-enyl] 3-chlorobutanoate
PubChem CID5352582
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name[(Z)-hex-3-enyl] 3-chlorobutanoate
SMILESCC/C=C\CCOC(=O)CC(C)Cl
InChIInChI=1S/C10H17ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9H,3,6-8H2,1-2H3/b5-4-
InChIKeyTZCFURZQKLRBPP-PLNGDYQASA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}

Analyze [(Z)-hex-3-enyl] 3-chlorobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-3-Hexenyl butanoate
CID 5352438
3-Hexenyl butyrate, (3E)-
CID 5352331
Hex-3-en-1-yl butanoate
CID 61839
Pent-3-en-1-yl butanoate
CID 71409426
(Z)-3-Hexen-1-ol, chloroacetate
CID 5352559
Xnrbufdtuvcurq-xvnbxdojsa-
CID 12434499
9-Chloro-(z)-5-nonenyl acetate
CID 15705026
Butanoic acid, 2-chloro, 3-butenyl ester
CID 527680
Butanoic acid, 3-chloro, 1-methyl-3-butenyl ester
CID 527686
Butanoic acid, 3-chloro, 3-butenyl ester
CID 527692
Butanoic acid, 3-chloro, 4-pentenyl ester
CID 527693
Butanoic acid, 4-chloro, 3-butenyl ester
CID 527703

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-enyl] 3-chlorobutanoate?
The IUPAC name of [(Z)-hex-3-enyl] 3-chlorobutanoate (CID 5352582) is [(Z)-hex-3-enyl] 3-chlorobutanoate.
What is the SMILES notation for [(Z)-hex-3-enyl] 3-chlorobutanoate?
The canonical SMILES for [(Z)-hex-3-enyl] 3-chlorobutanoate is CC/C=C\CCOC(=O)CC(C)Cl.
What is the InChIKey of [(Z)-hex-3-enyl] 3-chlorobutanoate?
The InChIKey is TZCFURZQKLRBPP-PLNGDYQASA-N. The full InChI is InChI=1S/C10H17ClO2/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9H,3,6-8H2,1-2H3/b5-4-.
What are the key properties of [(Z)-hex-3-enyl] 3-chlorobutanoate?
[(Z)-hex-3-enyl] 3-chlorobutanoate has a molecular weight of 204.70 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hex-3-enyl] 3-chlorobutanoate is sourced from PubChem (CID 5352582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).