2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate

C15H18O2 — CID 59475015

IUPAC2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate
SMILESCC(C)(OC(=O)C1CC=CC1)c1ccccc1
InChIInChI=1S/C15H18O2/c1-15(2,13-10-4-3-5-11-13)17-14(16)12-8-6-7-9-12/h3-7,10-12H,8-9H2,1-2H3
InChIKeyIYPNYOVHZOMDGR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.43
Rot. Bonds3

About 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate

2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate (PubChem CID 59475015) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Name2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate
PubChem CID59475015
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate
SMILESCC(C)(OC(=O)C1CC=CC1)c1ccccc1
InChIInChI=1S/C15H18O2/c1-15(2,13-10-4-3-5-11-13)17-14(16)12-8-6-7-9-12/h3-7,10-12H,8-9H2,1-2H3
InChIKeyIYPNYOVHZOMDGR-UHFFFAOYSA-N
XLogP3.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-phenylpropan-2-yl 3-cyclopropyl-3-oxopropanoate
CID 138594023
2-phenylpropan-2-yl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 162701201
trityl cyclopropanecarboxylate
CID 75455178
2-phenylpropan-2-yl carbamate;propane
CID 175117543
2-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
2-phenylpropan-2-yl 3-[3-oxo-3-(2-phenylpropan-2-yloxy)propyl]sulfanylpropanoate
CID 70006698
2-phenylpropan-2-yl azetidine-1-carboxylate
CID 170530047
2-phenylpropan-2-yl 2-cyclohexyl-3-methylbutanoate
CID 23516255
2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938
2-phenylpropan-2-yl pyrimidine-2-carboxylate
CID 90711352

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate?
The IUPAC name of 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate (CID 59475015) is 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate?
The canonical SMILES for 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate is CC(C)(OC(=O)C1CC=CC1)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate?
The InChIKey is IYPNYOVHZOMDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-15(2,13-10-4-3-5-11-13)17-14(16)12-8-6-7-9-12/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate?
2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 59475015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).