1-tert-butyl-1-methylcyclopropane

C8H16 — CID 23567201

IUPAC1-tert-butyl-1-methylcyclopropane
SMILESCC(C)(C)C1(C)CC1
InChIInChI=1S/C8H16/c1-7(2,3)8(4)5-6-8/h5-6H2,1-4H3
InChIKeyFIJNNRSLZYENKJ-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds

About 1-tert-butyl-1-methylcyclopropane

1-tert-butyl-1-methylcyclopropane (PubChem CID 23567201) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is 1-tert-butyl-1-methylcyclopropane.

Molecular Properties

Compound Name1-tert-butyl-1-methylcyclopropane
PubChem CID23567201
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Name1-tert-butyl-1-methylcyclopropane
SMILESCC(C)(C)C1(C)CC1
InChIInChI=1S/C8H16/c1-7(2,3)8(4)5-6-8/h5-6H2,1-4H3
InChIKeyFIJNNRSLZYENKJ-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methylcyclopropane?
The IUPAC name of 1-tert-butyl-1-methylcyclopropane (CID 23567201) is 1-tert-butyl-1-methylcyclopropane.
What is the SMILES notation for 1-tert-butyl-1-methylcyclopropane?
The canonical SMILES for 1-tert-butyl-1-methylcyclopropane is CC(C)(C)C1(C)CC1.
What is the InChIKey of 1-tert-butyl-1-methylcyclopropane?
The InChIKey is FIJNNRSLZYENKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-7(2,3)8(4)5-6-8/h5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-1-methylcyclopropane?
1-tert-butyl-1-methylcyclopropane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methylcyclopropane is sourced from PubChem (CID 23567201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).