2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane

C20H34 — CID 134903321

IUPAC2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane
SMILESCC1(C)C2CCC(CCC3CCC4CC3C4(C)C)C1C2
InChIInChI=1S/C20H34/c1-19(2)15-9-7-13(17(19)11-15)5-6-14-8-10-16-12-18(14)20(16,3)4/h13-18H,5-12H2,1-4H3
InChIKeyRFWBFGFWMJHCIB-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.91
Rot. Bonds3

About 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane

2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane (PubChem CID 134903321) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane
PubChem CID134903321
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane
SMILESCC1(C)C2CCC(CCC3CCC4CC3C4(C)C)C1C2
InChIInChI=1S/C20H34/c1-19(2)15-9-7-13(17(19)11-15)5-6-14-8-10-16-12-18(14)20(16,3)4/h13-18H,5-12H2,1-4H3
InChIKeyRFWBFGFWMJHCIB-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane?
The IUPAC name of 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane (CID 134903321) is 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane?
The canonical SMILES for 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane is CC1(C)C2CCC(CCC3CCC4CC3C4(C)C)C1C2.
What is the InChIKey of 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane?
The InChIKey is RFWBFGFWMJHCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-19(2)15-9-7-13(17(19)11-15)5-6-14-8-10-16-12-18(14)20(16,3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane?
2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane has a molecular weight of 274.49 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl]-6,6-dimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 134903321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).