1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane

C15H30 — CID 165174323

IUPAC1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane
SMILESCCC(C(C)(C)C)C1(C(C)(C)C)CCC1
InChIInChI=1S/C15H30/c1-8-12(13(2,3)4)15(10-9-11-15)14(5,6)7/h12H,8-11H2,1-7H3
InChIKeyDKDOKHXOGAJEAV-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds2

About 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane

1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane (PubChem CID 165174323) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane.

Molecular Properties

Compound Name1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane
PubChem CID165174323
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane
SMILESCCC(C(C)(C)C)C1(C(C)(C)C)CCC1
InChIInChI=1S/C15H30/c1-8-12(13(2,3)4)15(10-9-11-15)14(5,6)7/h12H,8-11H2,1-7H3
InChIKeyDKDOKHXOGAJEAV-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-1-tert-butylcyclopropane
CID 123358420
1,1-bis(2,2-dimethylpentan-3-yl)-3,3,5-trimethylcyclohexane
CID 172765062
1-ethyl-1-(2-methylpentan-3-yl)cyclobutane
CID 170720683
1-(2,2-dimethylpentan-3-yl)-2,2-dimethyl-1-prop-1-en-2-ylcyclopropane
CID 123928850
1-tert-butyl-1-(difluoromethyl)cyclopropane
CID 121308239
1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
CID 123373940
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
CID 126660417
ethane;propan-2-ylcyclohexane;2,2,3-trimethylpentane
CID 143562850
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
2-ethylspiro[3.3]heptane
CID 123395058
1-pentan-3-ylbicyclo[2.2.0]hexane
CID 123433061

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane?
The IUPAC name of 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane (CID 165174323) is 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane.
What is the SMILES notation for 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane?
The canonical SMILES for 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane is CCC(C(C)(C)C)C1(C(C)(C)C)CCC1.
What is the InChIKey of 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane?
The InChIKey is DKDOKHXOGAJEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-8-12(13(2,3)4)15(10-9-11-15)14(5,6)7/h12H,8-11H2,1-7H3.
What are the key properties of 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane?
1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-(2,2-dimethylpentan-3-yl)cyclobutane is sourced from PubChem (CID 165174323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).