1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane

C14H22 — CID 12692414

IUPAC1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SMILESC1CC2CC1CC2C12CCC(CC1)C2
InChIInChI=1S/C14H22/c1-2-12-7-11(1)8-13(12)14-5-3-10(9-14)4-6-14/h10-13H,1-9H2
InChIKeyCYVRQEJHJPKJGE-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.00
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane

1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane (PubChem CID 12692414) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
PubChem CID12692414
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane
SMILESC1CC2CC1CC2C12CCC(CC1)C2
InChIInChI=1S/C14H22/c1-2-12-7-11(1)8-13(12)14-5-3-10(9-14)4-6-14/h10-13H,1-9H2
InChIKeyCYVRQEJHJPKJGE-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane (CID 12692414) is 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane is C1CC2CC1CC2C12CCC(CC1)C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
The InChIKey is CYVRQEJHJPKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-12-7-11(1)8-13(12)14-5-3-10(9-14)4-6-14/h10-13H,1-9H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane?
1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane has a molecular weight of 190.33 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 12692414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).