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

C16H26 — CID 549124

IUPAC2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane
SMILESC1CC2CC1CC2CCC1CC2CCC1C2
InChIInChI=1S/C16H26/c1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h11-16H,1-10H2
InChIKeyVEUBNKBJLPYGMS-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.64
Rot. Bonds3

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

2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane (PubChem CID 549124) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane
PubChem CID549124
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane
SMILESC1CC2CC1CC2CCC1CC2CCC1C2
InChIInChI=1S/C16H26/c1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h11-16H,1-10H2
InChIKeyVEUBNKBJLPYGMS-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane (CID 549124) is 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane is C1CC2CC1CC2CCC1CC2CCC1C2.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane?
The InChIKey is VEUBNKBJLPYGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-13-7-11(1)9-15(13)5-6-16-10-12-2-4-14(16)8-12/h11-16H,1-10H2.
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane?
2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane has a molecular weight of 218.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 549124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).