tert-butyl 2-cyclopentylpropanoate

C12H22O2 — CID 142496420

IUPACtert-butyl 2-cyclopentylpropanoate
SMILESCC(C(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C12H22O2/c1-9(10-7-5-6-8-10)11(13)14-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyQZRPJFUHFICUMJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.15
Rot. Bonds2

About tert-butyl 2-cyclopentylpropanoate

tert-butyl 2-cyclopentylpropanoate (PubChem CID 142496420) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is tert-butyl 2-cyclopentylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-cyclopentylpropanoate
PubChem CID142496420
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nametert-butyl 2-cyclopentylpropanoate
SMILESCC(C(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C12H22O2/c1-9(10-7-5-6-8-10)11(13)14-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyQZRPJFUHFICUMJ-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
tert-butyl (2R)-2-[(1R)-3-oxocyclohexyl]propanoate
CID 11218403
tert-butyl 2-(3-fluoro-3-methylcycloheptyl)propanoate
CID 174318634
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
tert-butyl (2S)-2-(3-methylidenecyclobutyl)propanoate
CID 89035550
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
CID 142366639
tert-butyl 4-cyclohexyl-4-methoxy-2-methyl-3-oxobutanoate
CID 116775028
ethyl 2-cyclopentylpropanoate
CID 10654733
2-[amino(cyclopentyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174534601
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
CID 86307986
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopentylpropanoate?
The IUPAC name of tert-butyl 2-cyclopentylpropanoate (CID 142496420) is tert-butyl 2-cyclopentylpropanoate.
What is the SMILES notation for tert-butyl 2-cyclopentylpropanoate?
The canonical SMILES for tert-butyl 2-cyclopentylpropanoate is CC(C(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl 2-cyclopentylpropanoate?
The InChIKey is QZRPJFUHFICUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(10-7-5-6-8-10)11(13)14-12(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-cyclopentylpropanoate?
tert-butyl 2-cyclopentylpropanoate has a molecular weight of 198.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclopentylpropanoate is sourced from PubChem (CID 142496420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).