2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C16H28O2 — CID 71274532

IUPAC2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=CC1(C(=O)OC(C)(C)C(C)C)CC1(C)C
InChIInChI=1S/C16H28O2/c1-11(2)9-16(10-14(16,5)6)13(17)18-15(7,8)12(3)4/h9,12H,10H2,1-8H3
InChIKeyYGRCRYNQUPYJBB-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.35
Rot. Bonds4

About 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 71274532) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
PubChem CID71274532
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SMILESCC(C)=CC1(C(=O)OC(C)(C)C(C)C)CC1(C)C
InChIInChI=1S/C16H28O2/c1-11(2)9-16(10-14(16,5)6)13(17)18-15(7,8)12(3)4/h9,12H,10H2,1-8H3
InChIKeyYGRCRYNQUPYJBB-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate with MolForge

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Related Compounds

tert-butyl 1-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 69420627
2,3-dimethylbutan-2-yl carbamate
CID 20975410
1-[2-chloro-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57307842
tert-butyl 1-methyl-2-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 141102764
(Z)-4-(2,3-dimethylbutan-2-yloxy)-4-oxobut-2-enoic acid
CID 88826298
methyl 2,2-dimethyl-1-prop-1-enylcyclopropane-1-carboxylate
CID 141020138
2-[4-(2,3-dimethylbutan-2-yloxy)-4-methylcyclohexyl]propan-2-yl 3,3-dimethyl-2-oxopent-4-enoate
CID 123929277
2,3-dimethylbutan-2-yl N-sulfamoylcarbamate
CID 122596778
[(3R)-2,3-dimethylpentan-2-yl] 1-tert-butylcyclopropane-1-carboxylate
CID 140896697
2,3-dimethylbutan-2-yl 2-(3,5-diethyl-8,9-dimethyl-8-tricyclo[5.2.1.02,6]decanyl)acetate
CID 59972661
tert-butyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 130268262
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The IUPAC name of 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 71274532) is 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=CC1(C(=O)OC(C)(C)C(C)C)CC1(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
The InChIKey is YGRCRYNQUPYJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11(2)9-16(10-14(16,5)6)13(17)18-15(7,8)12(3)4/h9,12H,10H2,1-8H3.
What are the key properties of 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?
2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 252.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2,2-dimethyl-1-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71274532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).