trans-(1R,2R)-1,2-ditert-butylcyclopropane

C11H22 — CID 12714135

IUPACtrans-(1R,2R)-1,2-ditert-butylcyclopropane
SMILESCC(C)(C)[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C11H22/c1-10(2,3)8-7-9(8)11(4,5)6/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyHKHYLUHRWNEUEI-RKDXNWHRSA-N
MW154.30 g/mol
LogP3.71
Rot. Bonds

About trans-(1R,2R)-1,2-ditert-butylcyclopropane

trans-(1R,2R)-1,2-ditert-butylcyclopropane (PubChem CID 12714135) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is trans-(1R,2R)-1,2-ditert-butylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1,2-ditert-butylcyclopropane
PubChem CID12714135
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nametrans-(1R,2R)-1,2-ditert-butylcyclopropane
SMILESCC(C)(C)[C@@H]1C[C@H]1C(C)(C)C
InChIInChI=1S/C11H22/c1-10(2,3)8-7-9(8)11(4,5)6/h8-9H,7H2,1-6H3/t8-,9-/m1/s1
InChIKeyHKHYLUHRWNEUEI-RKDXNWHRSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1,2-ditert-butylcyclopropane?
The IUPAC name of trans-(1R,2R)-1,2-ditert-butylcyclopropane (CID 12714135) is trans-(1R,2R)-1,2-ditert-butylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1,2-ditert-butylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1,2-ditert-butylcyclopropane is CC(C)(C)[C@@H]1C[C@H]1C(C)(C)C.
What is the InChIKey of trans-(1R,2R)-1,2-ditert-butylcyclopropane?
The InChIKey is HKHYLUHRWNEUEI-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H22/c1-10(2,3)8-7-9(8)11(4,5)6/h8-9H,7H2,1-6H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-1,2-ditert-butylcyclopropane?
trans-(1R,2R)-1,2-ditert-butylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1,2-ditert-butylcyclopropane is sourced from PubChem (CID 12714135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).