[(E)-dec-8-en-4-yl] 2-chloroacetate

C12H21ClO2 — CID 87697577

IUPAC[(E)-dec-8-en-4-yl] 2-chloroacetate
SMILESC/C=C/CCCC(CCC)OC(=O)CCl
InChIInChI=1S/C12H21ClO2/c1-3-5-6-7-9-11(8-4-2)15-12(14)10-13/h3,5,11H,4,6-10H2,1-2H3/b5-3+
InChIKeyGCWLEAGEBKTYST-HWKANZROSA-N
MW232.75 g/mol
LogP3.68
Rot. Bonds8

About [(E)-dec-8-en-4-yl] 2-chloroacetate

[(E)-dec-8-en-4-yl] 2-chloroacetate (PubChem CID 87697577) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is [(E)-dec-8-en-4-yl] 2-chloroacetate.

Molecular Properties

Compound Name[(E)-dec-8-en-4-yl] 2-chloroacetate
PubChem CID87697577
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name[(E)-dec-8-en-4-yl] 2-chloroacetate
SMILESC/C=C/CCCC(CCC)OC(=O)CCl
InChIInChI=1S/C12H21ClO2/c1-3-5-6-7-9-11(8-4-2)15-12(14)10-13/h3,5,11H,4,6-10H2,1-2H3/b5-3+
InChIKeyGCWLEAGEBKTYST-HWKANZROSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of [(E)-dec-8-en-4-yl] 2-chloroacetate?
The IUPAC name of [(E)-dec-8-en-4-yl] 2-chloroacetate (CID 87697577) is [(E)-dec-8-en-4-yl] 2-chloroacetate.
What is the SMILES notation for [(E)-dec-8-en-4-yl] 2-chloroacetate?
The canonical SMILES for [(E)-dec-8-en-4-yl] 2-chloroacetate is C/C=C/CCCC(CCC)OC(=O)CCl.
What is the InChIKey of [(E)-dec-8-en-4-yl] 2-chloroacetate?
The InChIKey is GCWLEAGEBKTYST-HWKANZROSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-3-5-6-7-9-11(8-4-2)15-12(14)10-13/h3,5,11H,4,6-10H2,1-2H3/b5-3+.
What are the key properties of [(E)-dec-8-en-4-yl] 2-chloroacetate?
[(E)-dec-8-en-4-yl] 2-chloroacetate has a molecular weight of 232.75 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-8-en-4-yl] 2-chloroacetate is sourced from PubChem (CID 87697577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).