ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate

C11H20O2 — CID 89296898

IUPACethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC[C@H]1C(C)C
InChIInChI=1S/C11H20O2/c1-4-13-11(12)10-7-5-6-9(10)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyTUOLYDXIJOYNHX-RGURZIINSA-N
MW184.28 g/mol
LogP2.62
Rot. Bonds3

About ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate

ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate (PubChem CID 89296898) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
PubChem CID89296898
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC[C@H]1C(C)C
InChIInChI=1S/C11H20O2/c1-4-13-11(12)10-7-5-6-9(10)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10?/m0/s1
InChIKeyTUOLYDXIJOYNHX-RGURZIINSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2S)-2-propan-2-ylcyclohexane-1-carboxylate
CID 58682733
ethyl 2-(1-hydroxy-3-methylbutyl)cyclopentane-1-carboxylate
CID 91329381
ethyl (2S)-2-hydroxycyclopentane-1-carboxylate
CID 130360742
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
trans-ethyl (1R,2R)-2-hydroxycyclohexane-1-carboxylate
CID 1268212
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl 2-amino-3-hydroxycyclohexane-1-carboxylate
CID 22258605
ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
CID 98010252
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
ethyl 2-iodocyclohexane-1-carboxylate
CID 153229288
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate (CID 89296898) is ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate is CCOC(=O)C1CCC[C@H]1C(C)C.
What is the InChIKey of ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate?
The InChIKey is TUOLYDXIJOYNHX-RGURZIINSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-11(12)10-7-5-6-9(10)8(2)3/h8-10H,4-7H2,1-3H3/t9-,10?/m0/s1.
What are the key properties of ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate?
ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate has a molecular weight of 184.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-propan-2-ylcyclopentane-1-carboxylate is sourced from PubChem (CID 89296898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).