tert-butyl 3-phenyloxolane-2-carboxylate

C15H20O3 — CID 85381910

IUPACtert-butyl 3-phenyloxolane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1OCCC1c1ccccc1
InChIInChI=1S/C15H20O3/c1-15(2,3)18-14(16)13-12(9-10-17-13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyZLYLTSAQZSVGPA-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.90
Rot. Bonds2

About tert-butyl 3-phenyloxolane-2-carboxylate

tert-butyl 3-phenyloxolane-2-carboxylate (PubChem CID 85381910) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl 3-phenyloxolane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-phenyloxolane-2-carboxylate
PubChem CID85381910
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl 3-phenyloxolane-2-carboxylate
SMILESCC(C)(C)OC(=O)C1OCCC1c1ccccc1
InChIInChI=1S/C15H20O3/c1-15(2,3)18-14(16)13-12(9-10-17-13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3
InChIKeyZLYLTSAQZSVGPA-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzeneacetic acid, (tetrahydro-2-furanyl)methyl ester
CID 95395
Benzeneacetic acid, alpha-ethyl-, ethyl ester
CID 97713
Dihydro-4-phenylfuran-2(3H)-one
CID 70515
Butyric acid, 2-phenyl-, isopropyl ester
CID 10798333
(4R)-4alpha-Phenyltetrahydrofuran-2-one
CID 10920832
Hydratropic acid, isopropyl ester
CID 10965354
Hydratropic acid, butyl ester
CID 13547482
Butyric acid, 2-phenyl-, butyl ester
CID 321404
alpha-Phenyltetrahydrofuranone-2-gamma-carboxylic acid
CID 99776
2(3H)-Furanone, dihydro-4-phenyl-, (4S)-
CID 10953833
[(1R,2S,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] 2-phenylacetate
CID 134136919
tert-Butyl 2-phenylpropionate
CID 95918

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-phenyloxolane-2-carboxylate?
The IUPAC name of tert-butyl 3-phenyloxolane-2-carboxylate (CID 85381910) is tert-butyl 3-phenyloxolane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-phenyloxolane-2-carboxylate?
The canonical SMILES for tert-butyl 3-phenyloxolane-2-carboxylate is CC(C)(C)OC(=O)C1OCCC1c1ccccc1.
What is the InChIKey of tert-butyl 3-phenyloxolane-2-carboxylate?
The InChIKey is ZLYLTSAQZSVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,3)18-14(16)13-12(9-10-17-13)11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-phenyloxolane-2-carboxylate?
tert-butyl 3-phenyloxolane-2-carboxylate has a molecular weight of 248.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-phenyloxolane-2-carboxylate is sourced from PubChem (CID 85381910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).