ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate

C11H20O3 — CID 141101066

IUPACethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C)CCCC1OCC
InChIInChI=1S/C11H20O3/c1-4-13-9-7-6-8-11(9,3)10(12)14-5-2/h9H,4-8H2,1-3H3
InChIKeyUPINXYZWSCWHJV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds4

About ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate

ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate (PubChem CID 141101066) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
PubChem CID141101066
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C)CCCC1OCC
InChIInChI=1S/C11H20O3/c1-4-13-9-7-6-8-11(9,3)10(12)14-5-2/h9H,4-8H2,1-3H3
InChIKeyUPINXYZWSCWHJV-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-ethyl (1S,2R)-2-(2-ethoxy-2-oxoethyl)-1-methylcyclopentane-1-carboxylate
CID 14958532
(2-ethoxycarbonyl-2-methylcyclopentyl) 3-methylbenzoate
CID 69200136
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911
2-methylpropyl 2-ethoxy-1-(2-methylpropyl)cyclopentane-1-carboxylate
CID 141100873
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
trans-ethyl (1S,2R)-2-acetyloxy-1-hydroxycyclohexane-1-carboxylate
CID 167134264
trans-ethyl (1S,2R)-1-methyl-2-prop-1-en-2-ylcyclobutane-1-carboxylate
CID 102361775
methyl 1-cyclohexyl-2-ethoxycyclopentane-1-carboxylate
CID 141100977
ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
CID 123793708
ethyl (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 11746379
(2S)-2-ethoxy-1,1-dimethylcyclohexane
CID 101096766
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate (CID 141101066) is ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate is CCOC(=O)C1(C)CCCC1OCC.
What is the InChIKey of ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate?
The InChIKey is UPINXYZWSCWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-13-9-7-6-8-11(9,3)10(12)14-5-2/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate?
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 141101066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).