methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate

C11H17ClO2 — CID 101470999

IUPACmethyl (2Z,4Z)-5-chlorodeca-2,4-dienoate
SMILESCCCCC/C(Cl)=C/C=C\C(=O)OC
InChIInChI=1S/C11H17ClO2/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,8-9H,3-5,7H2,1-2H3/b9-6-,10-8-
InChIKeyXLAPZBWDDBITAQ-PTKGMRGESA-N
MW216.71 g/mol
LogP3.42
Rot. Bonds6

About methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate

methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate (PubChem CID 101470999) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z,4Z)-5-chlorodeca-2,4-dienoate
PubChem CID101470999
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Namemethyl (2Z,4Z)-5-chlorodeca-2,4-dienoate
SMILESCCCCC/C(Cl)=C/C=C\C(=O)OC
InChIInChI=1S/C11H17ClO2/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,8-9H,3-5,7H2,1-2H3/b9-6-,10-8-
InChIKeyXLAPZBWDDBITAQ-PTKGMRGESA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.42
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2,4-decadienoate, (2E,4Z)-
CID 5281162
Methyl oct-2-enoate
CID 5364532
Methyl 2,4-decadienoate, (2E,4Z)-
CID 6436336
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
2-Octenoic acid, methyl ester
CID 61313
Propyl deca-2,4-dienoate
CID 119922
Propyl (2E,4Z)-2,4-decadienoate
CID 6438200
2-Octenoic acid, methyl ester, (2Z)-
CID 11040937
Methyl 2,4-decadienoate, (2E,4E)-
CID 5463485
(2E,4E,6Z)-Methyl deca-2,4,6-trienoate
CID 11052245
methyl (2E,4Z,6Z)-2,4,6-decatrienoate
CID 11745232

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate?
The IUPAC name of methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate (CID 101470999) is methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate.
What is the SMILES notation for methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate?
The canonical SMILES for methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate is CCCCC/C(Cl)=C/C=C\C(=O)OC.
What is the InChIKey of methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate?
The InChIKey is XLAPZBWDDBITAQ-PTKGMRGESA-N. The full InChI is InChI=1S/C11H17ClO2/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,8-9H,3-5,7H2,1-2H3/b9-6-,10-8-.
What are the key properties of methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate?
methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate has a molecular weight of 216.71 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,4Z)-5-chlorodeca-2,4-dienoate is sourced from PubChem (CID 101470999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).