ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate

C14H22O3 — CID 131732745

IUPACethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](C)CC(=O)CC12CCCC2
InChIInChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h10,12H,3-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyMUUOLWACXZHHSH-CMPLNLGQSA-N
MW238.33 g/mol
LogP2.73
Rot. Bonds2

About ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate

ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate (PubChem CID 131732745) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate.

Molecular Properties

Compound Nameethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate
PubChem CID131732745
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Nameethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](C)CC(=O)CC12CCCC2
InChIInChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h10,12H,3-9H2,1-2H3/t10-,12+/m0/s1
InChIKeyMUUOLWACXZHHSH-CMPLNLGQSA-N
XLogP2.73
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-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

Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
CID 11735763
Propyl 3-oxo-2-pentylcyclopentaneacetate
CID 11184378
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6R)-rel-
CID 44148952
Prohydrojasmon
CID 20056433
Diethyl methyl(3-oxocyclohexyl)malonate
CID 103616
Diethyl 2-oxo-1,3-cyclohexanedipropionate
CID 317753
Ethyl 1-methyl-4-oxocyclohexanecarboxylate
CID 21911973
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oate
CID 15944652
Methyl 2-[2-(cyclohexylmethyl)-3-oxocyclopentyl]acetate
CID 145994274
Ethyl 3-methyl-4-oxocyclohexane-1-carboxylate
CID 57465910
Methyl 2,2-dimethyl-4-oxocyclohexane-1-carboxylate
CID 58456348
Methyl 2,6-dimethyl-4-oxocyclohexane-1-carboxylate
CID 70550036

Frequently Asked Questions

What is the IUPAC name of ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate?
The IUPAC name of ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate (CID 131732745) is ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate.
What is the SMILES notation for ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate?
The canonical SMILES for ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate is CCOC(=O)[C@H]1[C@@H](C)CC(=O)CC12CCCC2.
What is the InChIKey of ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate?
The InChIKey is MUUOLWACXZHHSH-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-17-13(16)12-10(2)8-11(15)9-14(12)6-4-5-7-14/h10,12H,3-9H2,1-2H3/t10-,12+/m0/s1.
What are the key properties of ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate?
ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (9S,10S)-9-methyl-7-oxospiro[4.5]decane-10-carboxylate is sourced from PubChem (CID 131732745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).