oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate

C15H20O3 — CID 130428223

IUPACoxolan-3-yl 3-methyl-4-propan-2-ylbenzoate
SMILESCc1cc(C(=O)OC2CCOC2)ccc1C(C)C
InChIInChI=1S/C15H20O3/c1-10(2)14-5-4-12(8-11(14)3)15(16)18-13-6-7-17-9-13/h4-5,8,10,13H,6-7,9H2,1-3H3
InChIKeySBVXWLIAMITLCJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.06
Rot. Bonds3

About oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate

oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate (PubChem CID 130428223) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate.

Molecular Properties

Compound Nameoxolan-3-yl 3-methyl-4-propan-2-ylbenzoate
PubChem CID130428223
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameoxolan-3-yl 3-methyl-4-propan-2-ylbenzoate
SMILESCc1cc(C(=O)OC2CCOC2)ccc1C(C)C
InChIInChI=1S/C15H20O3/c1-10(2)14-5-4-12(8-11(14)3)15(16)18-13-6-7-17-9-13/h4-5,8,10,13H,6-7,9H2,1-3H3
InChIKeySBVXWLIAMITLCJ-UHFFFAOYSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-yl 3,4-dimethylbenzoate
CID 130399833
(1-methylpiperidin-4-yl) 3-methyl-4-propan-2-ylbenzoate
CID 130399843
oxolan-3-yl 4-aminobenzoate
CID 63558656
[(3S)-oxolan-3-yl] 4-chlorobenzoate
CID 95615076
oxolan-3-yl 4-fluorobenzoate
CID 63663417
oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65374535
oxolan-3-yl 6-aminopyridine-3-carboxylate
CID 63557463
oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65375309
[(3S)-oxolan-3-yl] 4-(1,2,4-triazol-4-yl)benzoate
CID 86819658
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
oxolan-3-yl 4-(2-hydroxyethylamino)benzoate
CID 55212550
[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
CID 130684136

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate?
The IUPAC name of oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate (CID 130428223) is oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate.
What is the SMILES notation for oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate?
The canonical SMILES for oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate is Cc1cc(C(=O)OC2CCOC2)ccc1C(C)C.
What is the InChIKey of oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate?
The InChIKey is SBVXWLIAMITLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)14-5-4-12(8-11(14)3)15(16)18-13-6-7-17-9-13/h4-5,8,10,13H,6-7,9H2,1-3H3.
What are the key properties of oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate?
oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate has a molecular weight of 248.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate is sourced from PubChem (CID 130428223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).