(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate

C15H16O5 — CID 102563693

IUPAC(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCC1(C)COC(=O)C1OC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H16O5/c1-15(2)8-19-14(17)12(15)20-13(16)10-3-4-11-9(7-10)5-6-18-11/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyMCSZEXSRVFAPSM-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.73
Rot. Bonds2

About (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate

(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 102563693) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID102563693
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCC1(C)COC(=O)C1OC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H16O5/c1-15(2)8-19-14(17)12(15)20-13(16)10-3-4-11-9(7-10)5-6-18-11/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyMCSZEXSRVFAPSM-UHFFFAOYSA-N
XLogP1.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-dimethyl-2-oxooxolan-3-yl) 4-[ethyl(propyl)amino]benzoate
CID 102563690
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate
CID 99809622
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
[(2R,3R,5R)-5-amino-3-methyl-2-propan-2-ylcyclohexyl] 2,3-dihydro-1-benzofuran-5-carboxylate
CID 91050982
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
(4,4-dimethyl-2-oxooxolan-3-yl) 3-[3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 102563691
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate (CID 102563693) is (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate is CC1(C)COC(=O)C1OC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is MCSZEXSRVFAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-15(2)8-19-14(17)12(15)20-13(16)10-3-4-11-9(7-10)5-6-18-11/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate?
(4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2-oxooxolan-3-yl) 2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 102563693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).