2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane

C13H24 — CID 168971709

IUPAC2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
SMILESCC.CC1(C2CC2)CCC2CCC21
InChIInChI=1S/C11H18.C2H6/c1-11(9-3-4-9)7-6-8-2-5-10(8)11;1-2/h8-10H,2-7H2,1H3;1-2H3
InChIKeyJJAFYYZUKUMRJK-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.25
Rot. Bonds1

About 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane

2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane (PubChem CID 168971709) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane.

Molecular Properties

Compound Name2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
PubChem CID168971709
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Name2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
SMILESCC.CC1(C2CC2)CCC2CCC21
InChIInChI=1S/C11H18.C2H6/c1-11(9-3-4-9)7-6-8-2-5-10(8)11;1-2/h8-10H,2-7H2,1H3;1-2H3
InChIKeyJJAFYYZUKUMRJK-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
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
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
(2R,6S)-2-methyltricyclo[5.2.1.02,6]decane
CID 58931798
4a,7,7-trimethyl-1,2,3,4,4b,5,6,8,8a,9,10,10a-dodecahydrophenanthrene
CID 176713715
2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane
CID 145256091
1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
bis[(2S,4aR,4bR,8aS,10aS)-4a-methyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-yl] sulfate
CID 130339175
(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 166092042
2-methyl-2-(2-methylbutan-2-yl)bicyclo[3.2.0]heptane
CID 123439603
[(2R,4aS,8aR,10aR)-4a-methyl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydro-1H-phenanthren-2-yl] hydrogen sulfate
CID 135197476
(8S,9S,10S,13R,14S,17S)-17-(2-deuterioethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 175705934
ethane;17-ethenyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 165395445

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane?
The IUPAC name of 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane (CID 168971709) is 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane.
What is the SMILES notation for 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane?
The canonical SMILES for 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane is CC.CC1(C2CC2)CCC2CCC21.
What is the InChIKey of 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane?
The InChIKey is JJAFYYZUKUMRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C2H6/c1-11(9-3-4-9)7-6-8-2-5-10(8)11;1-2/h8-10H,2-7H2,1H3;1-2H3.
What are the key properties of 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane?
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane has a molecular weight of 180.34 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane is sourced from PubChem (CID 168971709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).