methyl 2-chloro-2-methyldodecanoate

C14H27ClO2 — CID 14293501

IUPACmethyl 2-chloro-2-methyldodecanoate
SMILESCCCCCCCCCCC(C)(Cl)C(=O)OC
InChIInChI=1S/C14H27ClO2/c1-4-5-6-7-8-9-10-11-12-14(2,15)13(16)17-3/h4-12H2,1-3H3
InChIKeyCGFLOWQKSYVNGJ-UHFFFAOYSA-N
MW262.82 g/mol
LogP4.69
Rot. Bonds10

About methyl 2-chloro-2-methyldodecanoate

methyl 2-chloro-2-methyldodecanoate (PubChem CID 14293501) has the molecular formula C14H27ClO2 and a molecular weight of 262.82 g/mol. Its IUPAC name is methyl 2-chloro-2-methyldodecanoate.

Molecular Properties

Compound Namemethyl 2-chloro-2-methyldodecanoate
PubChem CID14293501
Molecular FormulaC14H27ClO2
Molecular Weight262.82 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-chloro-2-methyldodecanoate
SMILESCCCCCCCCCCC(C)(Cl)C(=O)OC
InChIInChI=1S/C14H27ClO2/c1-4-5-6-7-8-9-10-11-12-14(2,15)13(16)17-3/h4-12H2,1-3H3
InChIKeyCGFLOWQKSYVNGJ-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 54.69
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'}

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Related Compounds

azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 2-hydroxy-2-methylnonanoate
CID 62212880
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
methyl 2-methyl-2-sulfanylnonadecanoate
CID 88720330
methyl 2,2,3,3,4,4-hexachlorooctadecanoate
CID 118195443
methyl 2-hydroxy-2-methylheptanoate
CID 80558778
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
2-chloro-2-methylheptanoic acid
CID 154037694
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
2,2-bis(methoxycarbonyl)decanoic acid
CID 137333541
phosphanyl 2,2-dichlorooctanoate
CID 174834008

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-methyldodecanoate?
The IUPAC name of methyl 2-chloro-2-methyldodecanoate (CID 14293501) is methyl 2-chloro-2-methyldodecanoate.
What is the SMILES notation for methyl 2-chloro-2-methyldodecanoate?
The canonical SMILES for methyl 2-chloro-2-methyldodecanoate is CCCCCCCCCCC(C)(Cl)C(=O)OC.
What is the InChIKey of methyl 2-chloro-2-methyldodecanoate?
The InChIKey is CGFLOWQKSYVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO2/c1-4-5-6-7-8-9-10-11-12-14(2,15)13(16)17-3/h4-12H2,1-3H3.
What are the key properties of methyl 2-chloro-2-methyldodecanoate?
methyl 2-chloro-2-methyldodecanoate has a molecular weight of 262.82 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-methyldodecanoate is sourced from PubChem (CID 14293501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).