ethyl 2-methylcyclopentane-1-carboxylate

C9H16O2 — CID 10844634

IUPACethyl 2-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1C
InChIInChI=1S/C9H16O2/c1-3-11-9(10)8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeySSASOZYMYBGYJN-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.99
Rot. Bonds2

About ethyl 2-methylcyclopentane-1-carboxylate

ethyl 2-methylcyclopentane-1-carboxylate (PubChem CID 10844634) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is ethyl 2-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylcyclopentane-1-carboxylate
PubChem CID10844634
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameethyl 2-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCCC1C
InChIInChI=1S/C9H16O2/c1-3-11-9(10)8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeySSASOZYMYBGYJN-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethane;(2-methylcyclohexanecarbonyl)oxymethyl 2-methylcyclohexane-1-carboxylate
CID 91131520
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
chloromethyl 2-methylcyclohexane-1-carboxylate
CID 141258978
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
methyl 2-methylcyclopentane-1-carboxylate
CID 13435361
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095
ethyl 2,3-dichlorocyclohexane-1-carboxylate
CID 174393055

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-methylcyclopentane-1-carboxylate (CID 10844634) is ethyl 2-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-methylcyclopentane-1-carboxylate is CCOC(=O)C1CCCC1C.
What is the InChIKey of ethyl 2-methylcyclopentane-1-carboxylate?
The InChIKey is SSASOZYMYBGYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-11-9(10)8-6-4-5-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methylcyclopentane-1-carboxylate?
ethyl 2-methylcyclopentane-1-carboxylate has a molecular weight of 156.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 10844634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).