[(Z)-9-chloronon-5-enyl] acetate

C11H19ClO2 — CID 15705026

IUPAC[(Z)-9-chloronon-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C\CCCCl
InChIInChI=1S/C11H19ClO2/c1-11(13)14-10-8-6-4-2-3-5-7-9-12/h2-3H,4-10H2,1H3/b3-2-
InChIKeyZXIALTNOCKWFCU-IHWYPQMZSA-N
MW218.72 g/mol
LogP3.30
Rot. Bonds8

About [(Z)-9-chloronon-5-enyl] acetate

[(Z)-9-chloronon-5-enyl] acetate (PubChem CID 15705026) has the molecular formula C11H19ClO2 and a molecular weight of 218.72 g/mol. Its IUPAC name is [(Z)-9-chloronon-5-enyl] acetate.

Molecular Properties

Compound Name[(Z)-9-chloronon-5-enyl] acetate
PubChem CID15705026
Molecular FormulaC11H19ClO2
Molecular Weight218.72 g/mol
Exact Mass218.11
IUPAC Name[(Z)-9-chloronon-5-enyl] acetate
SMILESCC(=O)OCCCC/C=C\CCCCl
InChIInChI=1S/C11H19ClO2/c1-11(13)14-10-8-6-4-2-3-5-7-9-12/h2-3H,4-10H2,1H3/b3-2-
InChIKeyZXIALTNOCKWFCU-IHWYPQMZSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.72
LogP ≤ 53.30
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)-9-chloronon-5-enyl] acetate 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

ethyl (E)-7-acetyloxy-4-chlorohept-5-enoate
CID 134980785
[(E)-10-chlorodec-6-enyl] acetate
CID 102121416
Butanoic acid, 3-chloro, (E)-3-hexenyl ester
CID 5352581
Butanoic acid, 3-chloro, (Z)-3-hexenyl ester
CID 5352582
Butanoic acid, 4-chloro, (E)-3-hexenyl ester
CID 5352583
Butanoic acid, 4-chloro, (Z)-3-hexenyl ester
CID 5352584
Propanoic acid, 3-chloro, 4-pentenyl ester
CID 6427368
ethyl (E)-7-chlorohept-5-enoate
CID 20392011
1-chloroethyl (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
CID 21196832
[(E)-8-chlorooct-5-enyl] acetate
CID 23434876
1-Chloroethyl icosa-5,8,11,14,17-pentaenoate
CID 53974133
Ethyl 7-chlorohept-5-enoate
CID 54540919

Frequently Asked Questions

What is the IUPAC name of [(Z)-9-chloronon-5-enyl] acetate?
The IUPAC name of [(Z)-9-chloronon-5-enyl] acetate (CID 15705026) is [(Z)-9-chloronon-5-enyl] acetate.
What is the SMILES notation for [(Z)-9-chloronon-5-enyl] acetate?
The canonical SMILES for [(Z)-9-chloronon-5-enyl] acetate is CC(=O)OCCCC/C=C\CCCCl.
What is the InChIKey of [(Z)-9-chloronon-5-enyl] acetate?
The InChIKey is ZXIALTNOCKWFCU-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H19ClO2/c1-11(13)14-10-8-6-4-2-3-5-7-9-12/h2-3H,4-10H2,1H3/b3-2-.
What are the key properties of [(Z)-9-chloronon-5-enyl] acetate?
[(Z)-9-chloronon-5-enyl] acetate has a molecular weight of 218.72 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-9-chloronon-5-enyl] acetate is sourced from PubChem (CID 15705026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).