undec-10-enyl 2,2-dichloroacetate

C13H22Cl2O2 — CID 543303

IUPACundec-10-enyl 2,2-dichloroacetate
SMILESC=CCCCCCCCCCOC(=O)C(Cl)Cl
InChIInChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h2,12H,1,3-11H2
InChIKeyOARSSRKAOQJOFF-UHFFFAOYSA-N
MW281.22 g/mol
LogP4.64
Rot. Bonds11

About undec-10-enyl 2,2-dichloroacetate

undec-10-enyl 2,2-dichloroacetate (PubChem CID 543303) has the molecular formula C13H22Cl2O2 and a molecular weight of 281.22 g/mol. Its IUPAC name is undec-10-enyl 2,2-dichloroacetate.

Molecular Properties

Compound Nameundec-10-enyl 2,2-dichloroacetate
PubChem CID543303
Molecular FormulaC13H22Cl2O2
Molecular Weight281.22 g/mol
Exact Mass280.10
IUPAC Nameundec-10-enyl 2,2-dichloroacetate
SMILESC=CCCCCCCCCCOC(=O)C(Cl)Cl
InChIInChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h2,12H,1,3-11H2
InChIKeyOARSSRKAOQJOFF-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 54.64
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

Succinic acid, 2,2-dichloroethyl dec-9-en-1-yl ester
CID 91701509
3-Chloropropionic acid, 10-undecenyl ester
CID 543975
Hept-6-enyl 2,2,2-trichloroacetate
CID 10587386
[(E)-8-chlorooct-7-enyl] acetate
CID 10856619
Trichloroacetic acid, undec-10-enyl ester
CID 244466
Chloroacetic acid, 10-undecenyl ester
CID 244467
2,2,2-Trichloroethyl undec-10-enoate
CID 10734143
Octadec-9-enyl 2-chloroacetate
CID 249958
Oleyl chloroacetate
CID 5356958
[(Z)-tetradec-9-enyl] 2,2,2-trichloroacetate
CID 13376975
Docos-13-enyl 2-chloroacetate
CID 59264400
Erucyl 2-chloroacetate
CID 86592452

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2,2-dichloroacetate?
The IUPAC name of undec-10-enyl 2,2-dichloroacetate (CID 543303) is undec-10-enyl 2,2-dichloroacetate.
What is the SMILES notation for undec-10-enyl 2,2-dichloroacetate?
The canonical SMILES for undec-10-enyl 2,2-dichloroacetate is C=CCCCCCCCCCOC(=O)C(Cl)Cl.
What is the InChIKey of undec-10-enyl 2,2-dichloroacetate?
The InChIKey is OARSSRKAOQJOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-17-13(16)12(14)15/h2,12H,1,3-11H2.
What are the key properties of undec-10-enyl 2,2-dichloroacetate?
undec-10-enyl 2,2-dichloroacetate has a molecular weight of 281.22 g/mol, XLogP of 4.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2,2-dichloroacetate is sourced from PubChem (CID 543303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).