1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane

C18H30 — CID 10800468

IUPAC1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
SMILESCC(C)(C)C12CC(C34CC(C(C)(C)C)(C3)C4)(C1)C2
InChIInChI=1S/C18H30/c1-13(2,3)15-7-17(8-15,9-15)18-10-16(11-18,12-18)14(4,5)6/h7-12H2,1-6H3
InChIKeyKCXXSCSJAKSBJH-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.42
Rot. Bonds1

About 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane

1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane (PubChem CID 10800468) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
PubChem CID10800468
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
SMILESCC(C)(C)C12CC(C34CC(C(C)(C)C)(C3)C4)(C1)C2
InChIInChI=1S/C18H30/c1-13(2,3)15-7-17(8-15,9-15)18-10-16(11-18,12-18)14(4,5)6/h7-12H2,1-6H3
InChIKeyKCXXSCSJAKSBJH-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The IUPAC name of 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane (CID 10800468) is 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The canonical SMILES for 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane is CC(C)(C)C12CC(C34CC(C(C)(C)C)(C3)C4)(C1)C2.
What is the InChIKey of 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
The InChIKey is KCXXSCSJAKSBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-13(2,3)15-7-17(8-15,9-15)18-10-16(11-18,12-18)14(4,5)6/h7-12H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane?
1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane has a molecular weight of 246.44 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane is sourced from PubChem (CID 10800468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).