ethyl spiro[2.3]hexane-2-carboxylate

C9H14O2 — CID 533443

IUPACethyl spiro[2.3]hexane-2-carboxylate
SMILESCCOC(=O)C1CC12CCC2
InChIInChI=1S/C9H14O2/c1-2-11-8(10)7-6-9(7)4-3-5-9/h7H,2-6H2,1H3
InChIKeyNMHNCGKWEZUMIX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.74
Rot. Bonds2

About ethyl spiro[2.3]hexane-2-carboxylate

ethyl spiro[2.3]hexane-2-carboxylate (PubChem CID 533443) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl spiro[2.3]hexane-2-carboxylate.

Molecular Properties

Compound Nameethyl spiro[2.3]hexane-2-carboxylate
PubChem CID533443
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl spiro[2.3]hexane-2-carboxylate
SMILESCCOC(=O)C1CC12CCC2
InChIInChI=1S/C9H14O2/c1-2-11-8(10)7-6-9(7)4-3-5-9/h7H,2-6H2,1H3
InChIKeyNMHNCGKWEZUMIX-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl spiro[2.3]hexane-2-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 3-methyl-3-(3-oxocyclobutyl)butanoate
CID 131864811
1-(Ethoxycarbonyl)spiro(2.3)hexane-5-carboxylic acid
CID 132354131
Ethyl 3,3-dimethylheptanoate
CID 12933614
Ethyl 3-(2-fluoro-2-methylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 138725713
Cyclopropanecarboxylic acid, 3-isobutyl-2,2-dimethyl-, ethyl ester
CID 550428
Methyl 6-oxospiro[2.3]hexane-4-carboxylate
CID 165994007
Ethyl 2-methyl-2-tert-butyl-cyclopropane-1-carboxylate
CID 558573
Ethyl Spiro[2.2]pentane-1-carboxylate
CID 11105448
Ethyl 2,2-dicyclopropylcyclopropanecarboxylate
CID 13461349
Ethyl 2-cyclopropylcyclopropane-1-carboxylate
CID 15011072
Ethyl 3-(3-oxocyclobutyl)propanoate
CID 67775333
Ethyl 2,3,3-trimethylheptanoate
CID 86226070

Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2.3]hexane-2-carboxylate?
The IUPAC name of ethyl spiro[2.3]hexane-2-carboxylate (CID 533443) is ethyl spiro[2.3]hexane-2-carboxylate.
What is the SMILES notation for ethyl spiro[2.3]hexane-2-carboxylate?
The canonical SMILES for ethyl spiro[2.3]hexane-2-carboxylate is CCOC(=O)C1CC12CCC2.
What is the InChIKey of ethyl spiro[2.3]hexane-2-carboxylate?
The InChIKey is NMHNCGKWEZUMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-11-8(10)7-6-9(7)4-3-5-9/h7H,2-6H2,1H3.
What are the key properties of ethyl spiro[2.3]hexane-2-carboxylate?
ethyl spiro[2.3]hexane-2-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2.3]hexane-2-carboxylate is sourced from PubChem (CID 533443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).