2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane

C14H22 — CID 565403

IUPAC2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SMILESC1CC2CC1CC2C1CC2CCC1C2
InChIInChI=1S/C14H22/c1-3-11-5-9(1)7-13(11)14-8-10-2-4-12(14)6-10/h9-14H,1-8H2
InChIKeyCNPLCYMOFRVMHO-UHFFFAOYSA-N
MW190.33 g/mol
LogP3.86
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane

2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane (PubChem CID 565403) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
PubChem CID565403
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SMILESC1CC2CC1CC2C1CC2CCC1C2
InChIInChI=1S/C14H22/c1-3-11-5-9(1)7-13(11)14-8-10-2-4-12(14)6-10/h9-14H,1-8H2
InChIKeyCNPLCYMOFRVMHO-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane (CID 565403) is 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane is C1CC2CC1CC2C1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The InChIKey is CNPLCYMOFRVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-3-11-5-9(1)7-13(11)14-8-10-2-4-12(14)6-10/h9-14H,1-8H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane has a molecular weight of 190.33 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 565403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).