methyl 2-hydroxy-2-methylnonanoate

C11H22O3 — CID 62212880

IUPACmethyl 2-hydroxy-2-methylnonanoate
SMILESCCCCCCCC(C)(O)C(=O)OC
InChIInChI=1S/C11H22O3/c1-4-5-6-7-8-9-11(2,13)10(12)14-3/h13H,4-9H2,1-3H3
InChIKeyLESKWOPUCDWFJF-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.27
Rot. Bonds7

About methyl 2-hydroxy-2-methylnonanoate

methyl 2-hydroxy-2-methylnonanoate (PubChem CID 62212880) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methylnonanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methylnonanoate
PubChem CID62212880
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 2-hydroxy-2-methylnonanoate
SMILESCCCCCCCC(C)(O)C(=O)OC
InChIInChI=1S/C11H22O3/c1-4-5-6-7-8-9-11(2,13)10(12)14-3/h13H,4-9H2,1-3H3
InChIKeyLESKWOPUCDWFJF-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-2-methylheptanoate
CID 80558778
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 2-amino-2-hydroxytetradecanoate
CID 174591192
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
methyl 2-chloro-2-methyldodecanoate
CID 14293501
methyl 2-methyl-2-sulfanylnonadecanoate
CID 88720330
azane;methyl 2-amino-2-hydroxytetradecanoate
CID 174591191
methyl 2-cyano-2-methyldecanoate
CID 18931635
methyl 2,2-difluorodecanoate
CID 22025599
methyl 2,2-difluoroheptadecanoate
CID 150501536

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methylnonanoate?
The IUPAC name of methyl 2-hydroxy-2-methylnonanoate (CID 62212880) is methyl 2-hydroxy-2-methylnonanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methylnonanoate?
The canonical SMILES for methyl 2-hydroxy-2-methylnonanoate is CCCCCCCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-methylnonanoate?
The InChIKey is LESKWOPUCDWFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-5-6-7-8-9-11(2,13)10(12)14-3/h13H,4-9H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methylnonanoate?
methyl 2-hydroxy-2-methylnonanoate has a molecular weight of 202.29 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methylnonanoate is sourced from PubChem (CID 62212880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).