methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate

C11H18O3 — CID 101379896

IUPACmethyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate
SMILESCOC(=O)C1CCCC(=O)CC[C@@H]1C
InChIInChI=1S/C11H18O3/c1-8-6-7-9(12)4-3-5-10(8)11(13)14-2/h8,10H,3-7H2,1-2H3/t8-,10?/m0/s1
InChIKeyMXTQSDHEOWGCDC-PEHGTWAWSA-N
MW198.26 g/mol
LogP1.94
Rot. Bonds1

About methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate

methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate (PubChem CID 101379896) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate
PubChem CID101379896
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate
SMILESCOC(=O)C1CCCC(=O)CC[C@@H]1C
InChIInChI=1S/C11H18O3/c1-8-6-7-9(12)4-3-5-10(8)11(13)14-2/h8,10H,3-7H2,1-2H3/t8-,10?/m0/s1
InChIKeyMXTQSDHEOWGCDC-PEHGTWAWSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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

Analyze methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
cis-methyl (1R,2S)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 12561750
methyl 4-oxocycloheptane-1-carboxylate
CID 11116477
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
methyl (4aR,5R,6R,10aR)-5-methyl-10-oxo-2,3,4,4a,5,6,7,8,9,10a-decahydro-1H-benzo[8]annulene-6-carboxylate
CID 22298152
cis-methyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 11040926
3-(2-methoxypropanoyl)-4-methylcyclohexan-1-one
CID 165496638
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
trans-dimethyl (1S,3S)-2-hydroxycyclohexane-1,3-dicarboxylate
CID 6932414
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
CID 118988969
methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate?
The IUPAC name of methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate (CID 101379896) is methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate?
The canonical SMILES for methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate is COC(=O)C1CCCC(=O)CC[C@@H]1C.
What is the InChIKey of methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate?
The InChIKey is MXTQSDHEOWGCDC-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H18O3/c1-8-6-7-9(12)4-3-5-10(8)11(13)14-2/h8,10H,3-7H2,1-2H3/t8-,10?/m0/s1.
What are the key properties of methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate?
methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate has a molecular weight of 198.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-5-oxocyclooctane-1-carboxylate is sourced from PubChem (CID 101379896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).