[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate

C19H32O4 — CID 91531855

IUPAC[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate
SMILESCC(C)(C)C(C)(C)OC(=O)COC(=O)C1(C(C)(C)C)C2CC21C
InChIInChI=1S/C19H32O4/c1-15(2,3)17(7,8)23-13(20)11-22-14(21)19(16(4,5)6)12-10-18(12,19)9/h12H,10-11H2,1-9H3
InChIKeyCFUGPVUKHSANBP-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.97
Rot. Bonds4

About [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate

[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate (PubChem CID 91531855) has the molecular formula C19H32O4 and a molecular weight of 324.46 g/mol. Its IUPAC name is [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate
PubChem CID91531855
Molecular FormulaC19H32O4
Molecular Weight324.46 g/mol
Exact Mass324.23
IUPAC Name[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate
SMILESCC(C)(C)C(C)(C)OC(=O)COC(=O)C1(C(C)(C)C)C2CC21C
InChIInChI=1S/C19H32O4/c1-15(2,3)17(7,8)23-13(20)11-22-14(21)19(16(4,5)6)12-10-18(12,19)9/h12H,10-11H2,1-9H3
InChIKeyCFUGPVUKHSANBP-UHFFFAOYSA-N
XLogP3.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate with MolForge

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Related Compounds

[2-(2-cyclopropylbutan-2-yloxy)-2-oxoethyl] 1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 91180041
lithium;potassium;bis(2,3,3-trimethylbutan-2-yl) propanedioate;hydride
CID 175224963
2,3,3-trimethylbutan-2-yl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748431
1-O-tert-butyl 2-O-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] adamantane-1,2-dicarboxylate
CID 22239577
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] cyclobutanecarboxylate
CID 142797891
tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
CID 67120937
[2-[3-(3,3-dimethylcycloheptyl)pentan-3-yloxy]-2-oxoethyl] 3,3-dimethylbutanoate
CID 91009340
trans-2-O-(2-methoxy-2-oxoethyl) 1-O-methyl (1R,2R)-1-methylcyclopropane-1,2-dicarboxylate
CID 134947829
[2-(2-cyclopentylpropan-2-yloxy)-2-oxoethyl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 91322686
bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 22023846
[4-oxo-4-(2,3,3-trimethylbutan-2-yloxy)butyl] 2,2-dimethylbutanoate
CID 59819219
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methanedithioic acid
CID 174864442

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate (CID 91531855) is [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate is CC(C)(C)C(C)(C)OC(=O)COC(=O)C1(C(C)(C)C)C2CC21C.
What is the InChIKey of [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate?
The InChIKey is CFUGPVUKHSANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4/c1-15(2,3)17(7,8)23-13(20)11-22-14(21)19(16(4,5)6)12-10-18(12,19)9/h12H,10-11H2,1-9H3.
What are the key properties of [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate?
[2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate has a molecular weight of 324.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,3-trimethylbutan-2-yloxy)ethyl] 2-tert-butyl-1-methylbicyclo[1.1.0]butane-2-carboxylate is sourced from PubChem (CID 91531855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).