1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane

C17H34 — CID 58860913

IUPAC1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane
SMILESCC(C)C1(C(C)C)CCC1(C(C)C)C(C)(C)C
InChIInChI=1S/C17H34/c1-12(2)16(13(3)4)10-11-17(16,14(5)6)15(7,8)9/h12-14H,10-11H2,1-9H3
InChIKeyODJBJLHDWZGUIE-UHFFFAOYSA-N
MW238.46 g/mol
LogP5.77
Rot. Bonds3

About 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane

1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane (PubChem CID 58860913) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane.

Molecular Properties

Compound Name1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane
PubChem CID58860913
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane
SMILESCC(C)C1(C(C)C)CCC1(C(C)C)C(C)(C)C
InChIInChI=1S/C17H34/c1-12(2)16(13(3)4)10-11-17(16,14(5)6)15(7,8)9/h12-14H,10-11H2,1-9H3
InChIKeyODJBJLHDWZGUIE-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2,2-dimethyl-1-propan-2-ylcyclopropane
CID 12600021
1-tert-butyl-1-methylcyclobutane;2-methylpropane
CID 178126062
1-tert-butyl-1-propan-2-ylcyclopropane;1,2-ditert-butylcyclobutane
CID 157384228
1-tert-butyl-1-propan-2-ylcyclopropane;2,2,4,4-tetramethyl-3-methylidenepentane
CID 159196394
4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
CID 174263036
1-tert-butyl-1-methyl-2,4-di(propan-2-yl)cyclobutane
CID 91279351
1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine
CID 105146065
1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
CID 158894957
1-(2,2-difluoropropyl)-1,2-di(propan-2-yl)cyclopentane
CID 118178923
1-tert-butyl-1-(difluoromethyl)cyclopropane
CID 121308239
1-butan-2-yl-1-tert-butylcyclopropane
CID 123358420
(4-tert-butyl-4-propan-2-ylcyclohexyl)-(4-prop-1-en-2-ylpiperazin-1-yl)methanone
CID 130230324

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane?
The IUPAC name of 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane (CID 58860913) is 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane.
What is the SMILES notation for 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane?
The canonical SMILES for 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane is CC(C)C1(C(C)C)CCC1(C(C)C)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane?
The InChIKey is ODJBJLHDWZGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-12(2)16(13(3)4)10-11-17(16,14(5)6)15(7,8)9/h12-14H,10-11H2,1-9H3.
What are the key properties of 1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane?
1-tert-butyl-1,2,2-tri(propan-2-yl)cyclobutane has a molecular weight of 238.46 g/mol, XLogP of 5.77, 3 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-tri(propan-2-yl)cyclobutane is sourced from PubChem (CID 58860913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).