propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

C12H20O4 — CID 66922170

IUPACpropyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCCOC(=O)C1C(COC(C)=O)C1(C)C
InChIInChI=1S/C12H20O4/c1-5-6-15-11(14)10-9(12(10,3)4)7-16-8(2)13/h9-10H,5-7H2,1-4H3
InChIKeyUTDYGWWZLIQFEF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.77
Rot. Bonds5

About propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate

propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 66922170) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID66922170
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namepropyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCCCOC(=O)C1C(COC(C)=O)C1(C)C
InChIInChI=1S/C12H20O4/c1-5-6-15-11(14)10-9(12(10,3)4)7-16-8(2)13/h9-10H,5-7H2,1-4H3
InChIKeyUTDYGWWZLIQFEF-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,2-dimethyl-3-propoxycarbonylcyclopropyl)methanesulfonic acid
CID 141174527
2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
CID 90905130
cyclohexyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 66922434
dipropyl 1,4-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141232438
2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid
CID 13457411
butyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
CID 23073779
propyl acetate;hydrate
CID 122690555
ethyl 2,2-dimethyl-3-propoxycyclopropane-1-carboxylate
CID 139939007
trans-ethyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-2-enyl)cyclopropane-1-carboxylate
CID 91717041
octane;propyl acetate
CID 174786724
tert-butyl 2,2-dimethyl-3-(propanoyloxymethyl)cyclopropane-1-carboxylate
CID 67120937
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130

Frequently Asked Questions

What is the IUPAC name of propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 66922170) is propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is CCCOC(=O)C1C(COC(C)=O)C1(C)C.
What is the InChIKey of propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is UTDYGWWZLIQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-6-15-11(14)10-9(12(10,3)4)7-16-8(2)13/h9-10H,5-7H2,1-4H3.
What are the key properties of propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate?
propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(acetyloxymethyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 66922170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).