propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate

C13H20O2 — CID 90361318

IUPACpropan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate
SMILESCC(C)=C=C1C(C(=O)OC(C)C)C1(C)C
InChIInChI=1S/C13H20O2/c1-8(2)7-10-11(13(10,5)6)12(14)15-9(3)4/h9,11H,1-6H3
InChIKeyNWPUCRDOGKRDMS-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.09
Rot. Bonds2

About propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate

propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate (PubChem CID 90361318) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate
PubChem CID90361318
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namepropan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate
SMILESCC(C)=C=C1C(C(=O)OC(C)C)C1(C)C
InChIInChI=1S/C13H20O2/c1-8(2)7-10-11(13(10,5)6)12(14)15-9(3)4/h9,11H,1-6H3
InChIKeyNWPUCRDOGKRDMS-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2,2-dimethylcyclopropane-1-carboxylate
CID 22239176
propan-2-yl oxirane-2-carboxylate
CID 87397503
propan-2-yl (2R)-oxirane-2-carboxylate
CID 150807258
dipropan-2-yl 1,4-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141186903
propan-2-yl cyclopropanecarboxylate
CID 550170
cis-propan-2-yl (1R,3R)-2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropane-1-carboxylate
CID 86739227
propan-2-yl 3,3-difluorocyclobutane-1-carboxylate
CID 131200165
3-propan-2-yloxycarbonylcyclopropane-1,2-dicarboxylic acid
CID 175588676
propan-2-yl 2,2-dimethyl-3-prop-1-enylcyclopropane-1-carboxylate
CID 68745562
3-(2,2-dimethyl-3-propan-2-yloxycarbonylcyclopropyl)-2-methylprop-2-enoic acid
CID 66896847
propan-2-yl acetate;hydrochloride
CID 87336432
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate?
The IUPAC name of propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate (CID 90361318) is propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate.
What is the SMILES notation for propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate?
The canonical SMILES for propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate is CC(C)=C=C1C(C(=O)OC(C)C)C1(C)C.
What is the InChIKey of propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate?
The InChIKey is NWPUCRDOGKRDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8(2)7-10-11(13(10,5)6)12(14)15-9(3)4/h9,11H,1-6H3.
What are the key properties of propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate?
propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate has a molecular weight of 208.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enylidene)cyclopropane-1-carboxylate is sourced from PubChem (CID 90361318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).