1,1,2-tritert-butylcyclopropane

C15H30 — CID 12714136

IUPAC1,1,2-tritert-butylcyclopropane
SMILESCC(C)(C)C1CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30/c1-12(2,3)11-10-15(11,13(4,5)6)14(7,8)9/h11H,10H2,1-9H3
InChIKeySSTYNWFIEYIZOO-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.13
Rot. Bonds

About 1,1,2-tritert-butylcyclopropane

1,1,2-tritert-butylcyclopropane (PubChem CID 12714136) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,2-tritert-butylcyclopropane.

Molecular Properties

Compound Name1,1,2-tritert-butylcyclopropane
PubChem CID12714136
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,2-tritert-butylcyclopropane
SMILESCC(C)(C)C1CC1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H30/c1-12(2,3)11-10-15(11,13(4,5)6)14(7,8)9/h11H,10H2,1-9H3
InChIKeySSTYNWFIEYIZOO-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tritert-butylcyclopropane?
The IUPAC name of 1,1,2-tritert-butylcyclopropane (CID 12714136) is 1,1,2-tritert-butylcyclopropane.
What is the SMILES notation for 1,1,2-tritert-butylcyclopropane?
The canonical SMILES for 1,1,2-tritert-butylcyclopropane is CC(C)(C)C1CC1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1,1,2-tritert-butylcyclopropane?
The InChIKey is SSTYNWFIEYIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-12(2,3)11-10-15(11,13(4,5)6)14(7,8)9/h11H,10H2,1-9H3.
What are the key properties of 1,1,2-tritert-butylcyclopropane?
1,1,2-tritert-butylcyclopropane has a molecular weight of 210.40 g/mol, XLogP of 5.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tritert-butylcyclopropane is sourced from PubChem (CID 12714136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).