tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate

C13H22O2 — CID 11469889

IUPACtert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate
SMILESCC(C)[C@@H]1C=C(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H22O2/c1-9(2)10-6-7-11(8-10)12(14)15-13(3,4)5/h8-10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyKMPBEUDZZPDEBL-JTQLQIEISA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate

tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate (PubChem CID 11469889) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate
PubChem CID11469889
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nametert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate
SMILESCC(C)[C@@H]1C=C(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H22O2/c1-9(2)10-6-7-11(8-10)12(14)15-13(3,4)5/h8-10H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyKMPBEUDZZPDEBL-JTQLQIEISA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ditert-butyl bicyclo[2.2.1]hepta-2,5-diene-2,5-dicarboxylate
CID 100946823
methyl 3-tert-butylcyclopentene-1-carboxylate
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4-O-tert-butyl 1-O-phenyl (3S,4R)-3-methylcyclohexene-1,4-dicarboxylate
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tert-butyl 2,5-dihydrofuran-3-carboxylate
CID 11206018
methyl (E)-3-[(3S,6S)-6-methyl-3-propan-2-ylcyclohexen-1-yl]prop-2-enoate
CID 102502360
ditert-butyl 3-oxocyclopentene-1,2-dicarboxylate
CID 10967965
tert-butyl 2-tert-butyl-3-propan-2-yl-3H-1,2-oxazole-4-carboxylate
CID 14970813
2-(2,4-dimethylcyclohex-3-en-1-yl)propan-2-yl acetate
CID 21043305
tert-butyl 1,6-dihydropyridazine-5-carboxylate
CID 169099915
tert-butyl 5-(hydroxymethyl)cyclopentene-1-carboxylate
CID 10943457
tert-butyl 2-methyl-4-propan-2-yloxycyclohexa-1,3-diene-1-carboxylate
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CID 114276173

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate (CID 11469889) is tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate is CC(C)[C@@H]1C=C(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate?
The InChIKey is KMPBEUDZZPDEBL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)10-6-7-11(8-10)12(14)15-13(3,4)5/h8-10H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate?
tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-propan-2-ylcyclopentene-1-carboxylate is sourced from PubChem (CID 11469889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).