1,1-di(cyclobutyl)cyclobutane

C12H20 — CID 15444461

IUPAC1,1-di(cyclobutyl)cyclobutane
SMILESC1CC(C2(C3CCC3)CCC2)C1
InChIInChI=1S/C12H20/c1-4-10(5-1)12(8-3-9-12)11-6-2-7-11/h10-11H,1-9H2
InChIKeyZJAWPOVULWROAU-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.76
Rot. Bonds2

About 1,1-di(cyclobutyl)cyclobutane

1,1-di(cyclobutyl)cyclobutane (PubChem CID 15444461) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,1-di(cyclobutyl)cyclobutane.

Molecular Properties

Compound Name1,1-di(cyclobutyl)cyclobutane
PubChem CID15444461
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,1-di(cyclobutyl)cyclobutane
SMILESC1CC(C2(C3CCC3)CCC2)C1
InChIInChI=1S/C12H20/c1-4-10(5-1)12(8-3-9-12)11-6-2-7-11/h10-11H,1-9H2
InChIKeyZJAWPOVULWROAU-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclobutyl)cyclobutane?
The IUPAC name of 1,1-di(cyclobutyl)cyclobutane (CID 15444461) is 1,1-di(cyclobutyl)cyclobutane.
What is the SMILES notation for 1,1-di(cyclobutyl)cyclobutane?
The canonical SMILES for 1,1-di(cyclobutyl)cyclobutane is C1CC(C2(C3CCC3)CCC2)C1.
What is the InChIKey of 1,1-di(cyclobutyl)cyclobutane?
The InChIKey is ZJAWPOVULWROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-4-10(5-1)12(8-3-9-12)11-6-2-7-11/h10-11H,1-9H2.
What are the key properties of 1,1-di(cyclobutyl)cyclobutane?
1,1-di(cyclobutyl)cyclobutane has a molecular weight of 164.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclobutyl)cyclobutane is sourced from PubChem (CID 15444461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).