2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane

C23H36 — CID 22094253

IUPAC2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C
InChIInChI=1S/C23H36/c1-12-14-3-5-16(9-14)20(12)22-18-7-8-19(11-18)23(22)21-13(2)15-4-6-17(21)10-15/h12-23H,3-11H2,1-2H3
InChIKeySKZMDKUAVHCJEF-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.01
Rot. Bonds2

About 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane

2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane (PubChem CID 22094253) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
PubChem CID22094253
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SMILESCC1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C
InChIInChI=1S/C23H36/c1-12-14-3-5-16(9-14)20(12)22-18-7-8-19(11-18)23(22)21-13(2)15-4-6-17(21)10-15/h12-23H,3-11H2,1-2H3
InChIKeySKZMDKUAVHCJEF-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane (CID 22094253) is 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane is CC1C2CCC(C2)C1C1C2CCC(C2)C1C1C2CCC(C2)C1C.
What is the InChIKey of 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The InChIKey is SKZMDKUAVHCJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-12-14-3-5-16(9-14)20(12)22-18-7-8-19(11-18)23(22)21-13(2)15-4-6-17(21)10-15/h12-23H,3-11H2,1-2H3.
What are the key properties of 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane has a molecular weight of 312.54 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-methyl-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 22094253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).