tert-butyl cyclopentene-1-carboxylate

C10H16O2 — CID 10953929

IUPACtert-butyl cyclopentene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCCC1
InChIInChI=1S/C10H16O2/c1-10(2,3)12-9(11)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyAXEKNTGCOWGMFK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds1

About tert-butyl cyclopentene-1-carboxylate

tert-butyl cyclopentene-1-carboxylate (PubChem CID 10953929) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is tert-butyl cyclopentene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl cyclopentene-1-carboxylate
PubChem CID10953929
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nametert-butyl cyclopentene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCCC1
InChIInChI=1S/C10H16O2/c1-10(2,3)12-9(11)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3
InChIKeyAXEKNTGCOWGMFK-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl cyclopentene-1-carboxylate?
The IUPAC name of tert-butyl cyclopentene-1-carboxylate (CID 10953929) is tert-butyl cyclopentene-1-carboxylate.
What is the SMILES notation for tert-butyl cyclopentene-1-carboxylate?
The canonical SMILES for tert-butyl cyclopentene-1-carboxylate is CC(C)(C)OC(=O)C1=CCCC1.
What is the InChIKey of tert-butyl cyclopentene-1-carboxylate?
The InChIKey is AXEKNTGCOWGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2,3)12-9(11)8-6-4-5-7-8/h6H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl cyclopentene-1-carboxylate?
tert-butyl cyclopentene-1-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl cyclopentene-1-carboxylate is sourced from PubChem (CID 10953929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).