tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane

C23H46 — CID 160715730

IUPACtert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)CC1CC1
InChIInChI=1S/2C8H16.C7H14/c1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyRSLGQLTWYYWFRS-UHFFFAOYSA-N
MW322.62 g/mol
LogP8.11
Rot. Bonds1

About tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane

tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane (PubChem CID 160715730) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane.

Molecular Properties

Compound Nametert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
PubChem CID160715730
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Nametert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
SMILESCC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)CC1CC1
InChIInChI=1S/2C8H16.C7H14/c1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3
InChIKeyRSLGQLTWYYWFRS-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;2,2-dimethylpropylcyclobutane;2,2-dimethylpropylcyclohexane;2,2-dimethylpropylcyclopentane;2,2-dimethylpropylcyclopropane
CID 161188745
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
1,4-ditert-butylcycloheptane
CID 58579546
(4-tert-butylcycloheptyl)methanamine
CID 65089670
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopropane;3-tert-butyloxane;3-tert-butyloxolane;2,2-dimethylpropylcyclopropane;3-(2,2-dimethylpropyl)oxetane
CID 162060129
1-tert-butyl-4-[(4-tert-butylcyclohexyl)methyl]cyclohexane
CID 59934768
tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;tert-butylcyclopropane;ethane;methane
CID 160918064
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentadecane
CID 164774831
2,2-dimethylpropylcyclobutane;ethane;bis(2-methylbutane)
CID 144526650
(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254

Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane?
The IUPAC name of tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane (CID 160715730) is tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane.
What is the SMILES notation for tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane?
The canonical SMILES for tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane is CC(C)(C)C1CC1.CC(C)(C)C1CCC1.CC(C)(C)CC1CC1.
What is the InChIKey of tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane?
The InChIKey is RSLGQLTWYYWFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16.C7H14/c1-8(2,3)6-7-4-5-7;1-8(2,3)7-5-4-6-7;1-7(2,3)6-4-5-6/h2*7H,4-6H2,1-3H3;6H,4-5H2,1-3H3.
What are the key properties of tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane?
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane has a molecular weight of 322.62 g/mol, XLogP of 8.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane is sourced from PubChem (CID 160715730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).