tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate

C12H20O4 — CID 139889585

IUPACtert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(=O)OC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C12H20O4/c1-7(13)15-9-8(12(9,5)6)10(14)16-11(2,3)4/h8-9H,1-6H3
InChIKeyAUYCVAJFRRXEKD-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate

tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 139889585) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID139889585
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Nametert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(=O)OC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C12H20O4/c1-7(13)15-9-8(12(9,5)6)10(14)16-11(2,3)4/h8-9H,1-6H3
InChIKeyAUYCVAJFRRXEKD-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 13041627
2-O-tert-butyl 1-O-methyl 3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 13041622
tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23073800
tert-butyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
CID 11521335
cis-tert-butyl (1S,3R)-2,2-dichloro-3-methylcyclopropane-1-carboxylate
CID 102246878
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
CID 59593712
3-[(1S,3R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]prop-2-ynoic acid
CID 13093787
tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307
cis-tert-butyl (1R,3R)-3-[(E,3E)-3-hydroxyimino-2-methylprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 140540652
tert-butyl acetate
CID 159704758
methyl 3-carbonochloridoyloxy-2,2-dimethylcyclopropane-1-carboxylate
CID 88742944
tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
CID 67120937

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate (CID 139889585) is tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate is CC(=O)OC1C(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is AUYCVAJFRRXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-7(13)15-9-8(12(9,5)6)10(14)16-11(2,3)4/h8-9H,1-6H3.
What are the key properties of tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate?
tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 139889585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).