tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate

C14H24O4 — CID 67120937

IUPACtert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
SMILESCCC(=O)OCC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O4/c1-7-10(15)17-8-9-11(14(9,5)6)12(16)18-13(2,3)4/h9,11H,7-8H2,1-6H3
InChIKeyTXTCIVJLJAPCQI-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate

tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate (PubChem CID 67120937) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
PubChem CID67120937
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nametert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
SMILESCCC(=O)OCC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C14H24O4/c1-7-10(15)17-8-9-11(14(9,5)6)12(16)18-13(2,3)4/h9,11H,7-8H2,1-6H3
InChIKeyTXTCIVJLJAPCQI-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23073800
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-[(2,6-dichlorophenyl)methoxymethyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 139988308
propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 66922170
trans-tert-butyl (1R,3S)-3-(3-butoxy-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 57264355
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl 3-acetyloxy-2,2-dimethylcyclopropane-1-carboxylate
CID 139889585
tert-butyl 2,2-dimethyl-3-[(E)-prop-1-enyl]cyclopropane-1-carboxylate
CID 11521335
trans-tert-butyl (1R,3S)-2,2-dimethyl-3-(3-oxo-3-propoxyprop-1-ynyl)cyclopropane-1-carboxylate
CID 57093538
tert-butyl 3-(2,2-dichloroethenyl)-2,2-diethylcyclopropane-1-carboxylate
CID 139826731
tert-butyl 2,2-dimethyl-3-[(E)-4-oxobut-1-enyl]cyclopropane-1-carboxylate
CID 87195750

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate (CID 67120937) is tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate is CCC(=O)OCC1C(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate?
The InChIKey is TXTCIVJLJAPCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-7-10(15)17-8-9-11(14(9,5)6)12(16)18-13(2,3)4/h9,11H,7-8H2,1-6H3.
What are the key properties of tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate?
tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 67120937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).