ethyl (Z)-2-chlorodec-2-enoate

C12H21ClO2 — CID 102479057

IUPACethyl (Z)-2-chlorodec-2-enoate
SMILESCCCCCCC/C=C(\Cl)C(=O)OCC
InChIInChI=1S/C12H21ClO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h10H,3-9H2,1-2H3/b11-10-
InChIKeyJFIXBXJTIUERBM-KHPPLWFESA-N
MW232.75 g/mol
LogP4.03
Rot. Bonds8

About ethyl (Z)-2-chlorodec-2-enoate

ethyl (Z)-2-chlorodec-2-enoate (PubChem CID 102479057) has the molecular formula C12H21ClO2 and a molecular weight of 232.75 g/mol. Its IUPAC name is ethyl (Z)-2-chlorodec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-chlorodec-2-enoate
PubChem CID102479057
Molecular FormulaC12H21ClO2
Molecular Weight232.75 g/mol
Exact Mass232.12
IUPAC Nameethyl (Z)-2-chlorodec-2-enoate
SMILESCCCCCCC/C=C(\Cl)C(=O)OCC
InChIInChI=1S/C12H21ClO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h10H,3-9H2,1-2H3/b11-10-
InChIKeyJFIXBXJTIUERBM-KHPPLWFESA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-decenoate, (2E)-
CID 5463904
2-Dodecenoic acid, ethyl ester, (2E)-
CID 11287580
Ethyl dodec-2-enoate
CID 53401860
Ethyl dec-2-enoate
CID 533700
(E)-2-Undecenoic acid ethyl ester
CID 12349897
ethyl (E)-2-fluorodec-2-enoate
CID 15446606
Ethyl cis-2-dodecenoate
CID 92136109
ethyl (Z)-dec-2-enoate
CID 6047581
ethyl (Z)-undec-2-enoate
CID 10727281
Allyl undecenoate
CID 44607767
Ethyl undec-2-enoate
CID 54185298
Propyl undec-2-enoate
CID 54530672

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-chlorodec-2-enoate?
The IUPAC name of ethyl (Z)-2-chlorodec-2-enoate (CID 102479057) is ethyl (Z)-2-chlorodec-2-enoate.
What is the SMILES notation for ethyl (Z)-2-chlorodec-2-enoate?
The canonical SMILES for ethyl (Z)-2-chlorodec-2-enoate is CCCCCCC/C=C(\Cl)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-chlorodec-2-enoate?
The InChIKey is JFIXBXJTIUERBM-KHPPLWFESA-N. The full InChI is InChI=1S/C12H21ClO2/c1-3-5-6-7-8-9-10-11(13)12(14)15-4-2/h10H,3-9H2,1-2H3/b11-10-.
What are the key properties of ethyl (Z)-2-chlorodec-2-enoate?
ethyl (Z)-2-chlorodec-2-enoate has a molecular weight of 232.75 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-chlorodec-2-enoate is sourced from PubChem (CID 102479057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).