1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane

C17H32 — CID 59391818

IUPAC1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
SMILESCC(C)(C)C1CC(CC2CC(C(C)(C)C)C2)C1
InChIInChI=1S/C17H32/c1-16(2,3)14-8-12(9-14)7-13-10-15(11-13)17(4,5)6/h12-15H,7-11H2,1-6H3
InChIKeyPBXDLYOPGKYXOF-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.52
Rot. Bonds2

About 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane

1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane (PubChem CID 59391818) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
PubChem CID59391818
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
SMILESCC(C)(C)C1CC(CC2CC(C(C)(C)C)C2)C1
InChIInChI=1S/C17H32/c1-16(2,3)14-8-12(9-14)7-13-10-15(11-13)17(4,5)6/h12-15H,7-11H2,1-6H3
InChIKeyPBXDLYOPGKYXOF-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123167626
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CID 59934768
3-tert-butyl-5-ethylcyclohexan-1-amine
CID 154652337
(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
CID 172509136
N-[(3-tert-butylcyclobutyl)methyl]propan-1-amine
CID 65014740
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
bis(1-tert-butyl-3-ethylcyclopentane);carbanide;iron(2+)
CID 162292801
1-tert-butyl-3-(cyclobutylmethylsulfonylmethyl)cyclobutane
CID 158831888
2-(3-tert-butylcyclopentyl)ethanol
CID 23230209
3-[(4-tert-butylcyclohexyl)methyl]azetidine
CID 104574692
3-tert-butylbicyclo[3.2.1]octane
CID 21352039
trans-(1R,2R)-4-tert-butyl-1,2-bis(2,2,2-trifluoroethyl)cyclopentane
CID 169302096

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane?
The IUPAC name of 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane (CID 59391818) is 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane.
What is the SMILES notation for 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane?
The canonical SMILES for 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane is CC(C)(C)C1CC(CC2CC(C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane?
The InChIKey is PBXDLYOPGKYXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-16(2,3)14-8-12(9-14)7-13-10-15(11-13)17(4,5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane?
1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane has a molecular weight of 236.44 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane is sourced from PubChem (CID 59391818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).