1-butan-2-yl-1-tert-butylcyclopropane

C11H22 — CID 123358420

IUPAC1-butan-2-yl-1-tert-butylcyclopropane
SMILESCCC(C)C1(C(C)(C)C)CC1
InChIInChI=1S/C11H22/c1-6-9(2)11(7-8-11)10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyXHKRJGOBQRTKOR-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.86
Rot. Bonds2

About 1-butan-2-yl-1-tert-butylcyclopropane

1-butan-2-yl-1-tert-butylcyclopropane (PubChem CID 123358420) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 1-butan-2-yl-1-tert-butylcyclopropane.

Molecular Properties

Compound Name1-butan-2-yl-1-tert-butylcyclopropane
PubChem CID123358420
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name1-butan-2-yl-1-tert-butylcyclopropane
SMILESCCC(C)C1(C(C)(C)C)CC1
InChIInChI=1S/C11H22/c1-6-9(2)11(7-8-11)10(3,4)5/h9H,6-8H2,1-5H3
InChIKeyXHKRJGOBQRTKOR-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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-butan-2-yl-1-tert-butylcyclopropane?
The IUPAC name of 1-butan-2-yl-1-tert-butylcyclopropane (CID 123358420) is 1-butan-2-yl-1-tert-butylcyclopropane.
What is the SMILES notation for 1-butan-2-yl-1-tert-butylcyclopropane?
The canonical SMILES for 1-butan-2-yl-1-tert-butylcyclopropane is CCC(C)C1(C(C)(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-1-tert-butylcyclopropane?
The InChIKey is XHKRJGOBQRTKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-9(2)11(7-8-11)10(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 1-butan-2-yl-1-tert-butylcyclopropane?
1-butan-2-yl-1-tert-butylcyclopropane has a molecular weight of 154.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-1-tert-butylcyclopropane is sourced from PubChem (CID 123358420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).