2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane

C18H30 — CID 19102269

IUPAC2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
SMILESCC1CC(C2(C)C3CCC(C3)C2C)C2CCC1C2
InChIInChI=1S/C18H30/c1-11-8-17(15-5-4-13(11)9-15)18(3)12(2)14-6-7-16(18)10-14/h11-17H,4-10H2,1-3H3
InChIKeyGCSHFUQUHVMHEF-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.13
Rot. Bonds1

About 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane

2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane (PubChem CID 19102269) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
PubChem CID19102269
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane
SMILESCC1CC(C2(C)C3CCC(C3)C2C)C2CCC1C2
InChIInChI=1S/C18H30/c1-11-8-17(15-5-4-13(11)9-15)18(3)12(2)14-6-7-16(18)10-14/h11-17H,4-10H2,1-3H3
InChIKeyGCSHFUQUHVMHEF-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane?
The IUPAC name of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane (CID 19102269) is 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane.
What is the SMILES notation for 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane?
The canonical SMILES for 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane is CC1CC(C2(C)C3CCC(C3)C2C)C2CCC1C2.
What is the InChIKey of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane?
The InChIKey is GCSHFUQUHVMHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-11-8-17(15-5-4-13(11)9-15)18(3)12(2)14-6-7-16(18)10-14/h11-17H,4-10H2,1-3H3.
What are the key properties of 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane?
2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane has a molecular weight of 246.44 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-methylbicyclo[3.2.1]octane is sourced from PubChem (CID 19102269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).