3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane

C20H36 — CID 123145146

IUPAC3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane
SMILESCC(C)C1C(C)C1CCC1CC2CC(C)C(C(C)C)C12
InChIInChI=1S/C20H36/c1-11(2)18-13(5)9-16-10-15(20(16)18)7-8-17-14(6)19(17)12(3)4/h11-20H,7-10H2,1-6H3
InChIKeyRABWSOZYGWJWMG-UHFFFAOYSA-N
MW276.51 g/mol
LogP5.87
Rot. Bonds5

About 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane

3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane (PubChem CID 123145146) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane
PubChem CID123145146
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane
SMILESCC(C)C1C(C)C1CCC1CC2CC(C)C(C(C)C)C12
InChIInChI=1S/C20H36/c1-11(2)18-13(5)9-16-10-15(20(16)18)7-8-17-14(6)19(17)12(3)4/h11-20H,7-10H2,1-6H3
InChIKeyRABWSOZYGWJWMG-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane with MolForge

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Related Compounds

2-methyl-6-propylbicyclo[2.2.0]hexane
CID 123694094
1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
3-ethyl-2,7-dimethyl-6-propan-2-ylbicyclo[3.2.0]heptane
CID 123742163
4-methyl-9-propyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 22898213
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
N-methyl-1-(2-methyl-3-propan-2-ylcyclopropyl)methanamine
CID 164726358
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
2-ethyl-6-(5-methylhexyl)bicyclo[2.2.0]hexane
CID 123529702
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
(2S,5S)-2-ethyl-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene-1,6-diol
CID 170528487
2,3,5-trimethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534517

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane?
The IUPAC name of 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane (CID 123145146) is 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane.
What is the SMILES notation for 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane?
The canonical SMILES for 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane is CC(C)C1C(C)C1CCC1CC2CC(C)C(C(C)C)C12.
What is the InChIKey of 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane?
The InChIKey is RABWSOZYGWJWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-11(2)18-13(5)9-16-10-15(20(16)18)7-8-17-14(6)19(17)12(3)4/h11-20H,7-10H2,1-6H3.
What are the key properties of 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane?
3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane has a molecular weight of 276.51 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-(2-methyl-3-propan-2-ylcyclopropyl)ethyl]-2-propan-2-ylbicyclo[3.2.0]heptane is sourced from PubChem (CID 123145146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).