tert-butylcyclopropane

C7H14 — CID 524623

IUPACtert-butylcyclopropane
SMILESCC(C)(C)C1CC1
InChIInChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyCJKIVLPJDVFXJP-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.44
Rot. Bonds

About tert-butylcyclopropane

tert-butylcyclopropane (PubChem CID 524623) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is tert-butylcyclopropane.

Molecular Properties

Compound Nametert-butylcyclopropane
PubChem CID524623
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Nametert-butylcyclopropane
SMILESCC(C)(C)C1CC1
InChIInChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyCJKIVLPJDVFXJP-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclopropane?
The IUPAC name of tert-butylcyclopropane (CID 524623) is tert-butylcyclopropane.
What is the SMILES notation for tert-butylcyclopropane?
The canonical SMILES for tert-butylcyclopropane is CC(C)(C)C1CC1.
What is the InChIKey of tert-butylcyclopropane?
The InChIKey is CJKIVLPJDVFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-7(2,3)6-4-5-6/h6H,4-5H2,1-3H3.
What are the key properties of tert-butylcyclopropane?
tert-butylcyclopropane has a molecular weight of 98.19 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclopropane is sourced from PubChem (CID 524623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).