1,1-ditert-butylcyclopropane

C11H22 — CID 12714132

IUPAC1,1-ditert-butylcyclopropane
SMILESCC(C)(C)C1(C(C)(C)C)CC1
InChIInChI=1S/C11H22/c1-9(2,3)11(7-8-11)10(4,5)6/h7-8H2,1-6H3
InChIKeyKUUSITOHZZQFLX-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds

About 1,1-ditert-butylcyclopropane

1,1-ditert-butylcyclopropane (PubChem CID 12714132) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1,1-ditert-butylcyclopropane.

Molecular Properties

Compound Name1,1-ditert-butylcyclopropane
PubChem CID12714132
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1,1-ditert-butylcyclopropane
SMILESCC(C)(C)C1(C(C)(C)C)CC1
InChIInChI=1S/C11H22/c1-9(2,3)11(7-8-11)10(4,5)6/h7-8H2,1-6H3
InChIKeyKUUSITOHZZQFLX-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-ditert-butylcyclopropane?
The IUPAC name of 1,1-ditert-butylcyclopropane (CID 12714132) is 1,1-ditert-butylcyclopropane.
What is the SMILES notation for 1,1-ditert-butylcyclopropane?
The canonical SMILES for 1,1-ditert-butylcyclopropane is CC(C)(C)C1(C(C)(C)C)CC1.
What is the InChIKey of 1,1-ditert-butylcyclopropane?
The InChIKey is KUUSITOHZZQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-9(2,3)11(7-8-11)10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 1,1-ditert-butylcyclopropane?
1,1-ditert-butylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butylcyclopropane is sourced from PubChem (CID 12714132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).