1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane

C22H38 — CID 173063113

IUPAC1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane
SMILESC1CC2CCCC(C34CCCC(CCC3)CCC4)C(C1)CC2
InChIInChI=1S/C22H38/c1-6-19-7-2-12-21(20(11-1)14-13-19)22-15-3-8-18(9-4-16-22)10-5-17-22/h18-21H,1-17H2
InChIKeyWQOPRPHAFHGBIZ-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.12
Rot. Bonds1

About 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane

1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane (PubChem CID 173063113) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane.

Molecular Properties

Compound Name1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane
PubChem CID173063113
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane
SMILESC1CC2CCCC(C34CCCC(CCC3)CCC4)C(C1)CC2
InChIInChI=1S/C22H38/c1-6-19-7-2-12-21(20(11-1)14-13-19)22-15-3-8-18(9-4-16-22)10-5-17-22/h18-21H,1-17H2
InChIKeyWQOPRPHAFHGBIZ-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane?
The IUPAC name of 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane (CID 173063113) is 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane.
What is the SMILES notation for 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane?
The canonical SMILES for 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane is C1CC2CCCC(C34CCCC(CCC3)CCC4)C(C1)CC2.
What is the InChIKey of 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane?
The InChIKey is WQOPRPHAFHGBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-6-19-7-2-12-21(20(11-1)14-13-19)22-15-3-8-18(9-4-16-22)10-5-17-22/h18-21H,1-17H2.
What are the key properties of 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane?
1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane has a molecular weight of 302.55 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane is sourced from PubChem (CID 173063113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).