methyl 4,11-dichlorododecanoate

C13H24Cl2O2 — CID 101278214

IUPACmethyl 4,11-dichlorododecanoate
SMILESCOC(=O)CCC(Cl)CCCCCCC(C)Cl
InChIInChI=1S/C13H24Cl2O2/c1-11(14)7-5-3-4-6-8-12(15)9-10-13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyUTLRSWKWZSVGEE-UHFFFAOYSA-N
MW283.24 g/mol
LogP4.51
Rot. Bonds10

About methyl 4,11-dichlorododecanoate

methyl 4,11-dichlorododecanoate (PubChem CID 101278214) has the molecular formula C13H24Cl2O2 and a molecular weight of 283.24 g/mol. Its IUPAC name is methyl 4,11-dichlorododecanoate.

Molecular Properties

Compound Namemethyl 4,11-dichlorododecanoate
PubChem CID101278214
Molecular FormulaC13H24Cl2O2
Molecular Weight283.24 g/mol
Exact Mass282.12
IUPAC Namemethyl 4,11-dichlorododecanoate
SMILESCOC(=O)CCC(Cl)CCCCCCC(C)Cl
InChIInChI=1S/C13H24Cl2O2/c1-11(14)7-5-3-4-6-8-12(15)9-10-13(16)17-2/h11-12H,3-10H2,1-2H3
InChIKeyUTLRSWKWZSVGEE-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 54.51
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'}

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Related Compounds

methyl 7,11-dichlorododecanoate
CID 101278235
methyl 6-chloroheptanoate
CID 11423919
methyl 11-chlorohexadecanoate
CID 13234969
methyl 11-chloropentadecanoate
CID 86008210
methyl 13-chlorooctadecanoate
CID 13234952
methyl 12-chloroicosanoate
CID 100938376
methyl 9-chloroundecanoate
CID 12772138
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
dimethyl 4-methyltetradecanedioate
CID 87116988
methyl 5-chloroheptanoate
CID 12772132
methyl 21-methyldocosanoate
CID 14178788
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618

Frequently Asked Questions

What is the IUPAC name of methyl 4,11-dichlorododecanoate?
The IUPAC name of methyl 4,11-dichlorododecanoate (CID 101278214) is methyl 4,11-dichlorododecanoate.
What is the SMILES notation for methyl 4,11-dichlorododecanoate?
The canonical SMILES for methyl 4,11-dichlorododecanoate is COC(=O)CCC(Cl)CCCCCCC(C)Cl.
What is the InChIKey of methyl 4,11-dichlorododecanoate?
The InChIKey is UTLRSWKWZSVGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Cl2O2/c1-11(14)7-5-3-4-6-8-12(15)9-10-13(16)17-2/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 4,11-dichlorododecanoate?
methyl 4,11-dichlorododecanoate has a molecular weight of 283.24 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,11-dichlorododecanoate is sourced from PubChem (CID 101278214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).