2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane

C13H24 — CID 123439603

IUPAC2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane
SMILESCCC(C)(C)C1(C)CCC2CCC21
InChIInChI=1S/C13H24/c1-5-12(2,3)13(4)9-8-10-6-7-11(10)13/h10-11H,5-9H2,1-4H3
InChIKeyOAMMELBUORSCMH-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.25
Rot. Bonds2

About 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane

2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane (PubChem CID 123439603) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane
PubChem CID123439603
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane
SMILESCCC(C)(C)C1(C)CCC2CCC21
InChIInChI=1S/C13H24/c1-5-12(2,3)13(4)9-8-10-6-7-11(10)13/h10-11H,5-9H2,1-4H3
InChIKeyOAMMELBUORSCMH-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-cyclopropyl-2-methylbicyclo[3.2.0]heptane
CID 149005122
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
CID 168971709
3-ethyl-2,2-dimethylbicyclo[4.2.0]octane
CID 123145636
4,5-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[3.2.0]heptane]
CID 581269
1-methanidyl-2-methyl-1-(2-methylbutan-2-yl)cyclobutane
CID 91105645
7a-methyl-1-(2-methylbutan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 69133827
2-(2-tricyclo[5.2.1.02,6]decanyl)butan-2-ol
CID 18519241
4-methyl-4-(2-methylbutan-2-yl)piperidine
CID 90425347
1-[3a-acetyl-7-ethyl-6-methyl-6-(2-methylbutan-2-yl)-2,3,4,5,7,7a-hexahydro-1H-inden-1-yl]ethanone
CID 91457364
5-tert-butyl-4-ethyl-5-methyl-4-azaspiro[2.4]heptane
CID 175612491
7-ethyl-1-methylbicyclo[2.2.1]heptane
CID 143617242
3-methyl-3-propylbicyclo[4.2.0]octane
CID 148753251

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane?
The IUPAC name of 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane (CID 123439603) is 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane.
What is the SMILES notation for 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane?
The canonical SMILES for 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane is CCC(C)(C)C1(C)CCC2CCC21.
What is the InChIKey of 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane?
The InChIKey is OAMMELBUORSCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-12(2,3)13(4)9-8-10-6-7-11(10)13/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane?
2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane has a molecular weight of 180.33 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane is sourced from PubChem (CID 123439603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).