methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate

C11H18O3 — CID 11492116

IUPACmethyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate
SMILESCOC(=O)C(C)(C)[C@@H]1CCCC(=O)C1
InChIInChI=1S/C11H18O3/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeySUOGORUUKSHYNT-MRVPVSSYSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds2

About methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate

methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate (PubChem CID 11492116) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate
PubChem CID11492116
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate
SMILESCOC(=O)C(C)(C)[C@@H]1CCCC(=O)C1
InChIInChI=1S/C11H18O3/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeySUOGORUUKSHYNT-MRVPVSSYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-2-[(1S)-3-oxocyclopentyl]propanoate
CID 12993369
(3R)-3-(1-hydroxy-2-methylpropan-2-yl)cyclohexan-1-one
CID 102386469
dimethyl 2-buta-2,3-dienyl-2-(3-oxocyclohexyl)propanedioate
CID 135072219
ethyl 2-methyl-3-oxo-2-(3-oxocyclohexyl)butanoate
CID 101417381
3-(1,1-difluoro-2-oxopropyl)cyclohexan-1-one
CID 135068101
diethyl 2-methyl-2-(3-oxocycloheptyl)propanedioate
CID 101236747
tert-butyl-[(1R)-3-oxocyclohexyl]carbamic acid
CID 97170156
methyl (2R)-2-acetyl-2-[(1R)-3-oxocycloheptyl]pent-4-ynoate
CID 11219273
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121
methyl 2-[(1S)-3-oxocyclohexyl]acetate
CID 10535152
methyl 2-(3,3-dimethylcycloheptyl)-2-methylpropanoate
CID 144518048
diethyl 2-[(1R)-3-oxocyclohexyl]-2-phenylpropanedioate
CID 135021532

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate?
The IUPAC name of methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate (CID 11492116) is methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate is COC(=O)C(C)(C)[C@@H]1CCCC(=O)C1.
What is the InChIKey of methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate?
The InChIKey is SUOGORUUKSHYNT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18O3/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate?
methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate has a molecular weight of 198.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate is sourced from PubChem (CID 11492116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).