[(E)-10-chlorodec-6-enyl] acetate

C12H21ClO2 — CID 102121416

IUPAC[(E)-10-chlorodec-6-enyl] acetate
SMILESCC(=O)OCCCCC/C=C/CCCCl
InChIInChI=1S/C12H21ClO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2,4H,3,5-11H2,1H3/b4-2+
InChIKeyZAGXLSGDPUJYKF-DUXPYHPUSA-N
MW232.75 g/mol
LogP3.69
Rot. Bonds9

About [(E)-10-chlorodec-6-enyl] acetate

[(E)-10-chlorodec-6-enyl] acetate (PubChem CID 102121416) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is [(E)-10-chlorodec-6-enyl] acetate.

Molecular Properties

Compound Name[(E)-10-chlorodec-6-enyl] acetate
PubChem CID102121416
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Name[(E)-10-chlorodec-6-enyl] acetate
SMILESCC(=O)OCCCCC/C=C/CCCCl
InChIInChI=1S/C12H21ClO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2,4H,3,5-11H2,1H3/b4-2+
InChIKeyZAGXLSGDPUJYKF-DUXPYHPUSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 53.69
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

6-Nonenyl acetate, (6Z)-
CID 5363389
6E-Nonenyl acetate
CID 6365752
(Z)-6-Decenyl acetate
CID 6435063
cis-6-Dodecenyl acetate
CID 5352898
(E)-6-Dodecen-1-yl acetate
CID 5352890
(E)-6-Decenyl acetate
CID 13743726
Non-6-enium acetate
CID 537548
Dodec-6-enyl acetate
CID 61863
[(E)-8-chlorooct-7-enyl] acetate
CID 10856619
9-Chloro-(z)-5-nonenyl acetate
CID 15705026
Propanoic acid, 3-chloro, 4-pentenyl ester
CID 6427368
E,E-6,11-Tridecadien-1-ol acetate
CID 5363393

Frequently Asked Questions

What is the IUPAC name of [(E)-10-chlorodec-6-enyl] acetate?
The IUPAC name of [(E)-10-chlorodec-6-enyl] acetate (CID 102121416) is [(E)-10-chlorodec-6-enyl] acetate.
What is the SMILES notation for [(E)-10-chlorodec-6-enyl] acetate?
The canonical SMILES for [(E)-10-chlorodec-6-enyl] acetate is CC(=O)OCCCCC/C=C/CCCCl.
What is the InChIKey of [(E)-10-chlorodec-6-enyl] acetate?
The InChIKey is ZAGXLSGDPUJYKF-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H21ClO2/c1-12(14)15-11-9-7-5-3-2-4-6-8-10-13/h2,4H,3,5-11H2,1H3/b4-2+.
What are the key properties of [(E)-10-chlorodec-6-enyl] acetate?
[(E)-10-chlorodec-6-enyl] acetate has a molecular weight of 232.75 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-10-chlorodec-6-enyl] acetate is sourced from PubChem (CID 102121416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).