1-tert-butyl-1-methylcyclobutane;2-methylpropane

C13H28 — CID 178126062

IUPAC1-tert-butyl-1-methylcyclobutane;2-methylpropane
SMILESCC(C)(C)C1(C)CCC1.CC(C)C
InChIInChI=1S/C9H18.C4H10/c1-8(2,3)9(4)6-5-7-9;1-4(2)3/h5-7H2,1-4H3;4H,1-3H3
InChIKeyJMBGJVOITOFMQH-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds

About 1-tert-butyl-1-methylcyclobutane;2-methylpropane

1-tert-butyl-1-methylcyclobutane;2-methylpropane (PubChem CID 178126062) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 1-tert-butyl-1-methylcyclobutane;2-methylpropane.

Molecular Properties

Compound Name1-tert-butyl-1-methylcyclobutane;2-methylpropane
PubChem CID178126062
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name1-tert-butyl-1-methylcyclobutane;2-methylpropane
SMILESCC(C)(C)C1(C)CCC1.CC(C)C
InChIInChI=1S/C9H18.C4H10/c1-8(2,3)9(4)6-5-7-9;1-4(2)3/h5-7H2,1-4H3;4H,1-3H3
InChIKeyJMBGJVOITOFMQH-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-1-methylcyclopentane
CID 21351462
8-tert-butyl-8-methylspiro[4.5]decane
CID 59599278
1-tert-butyl-1-methylcyclohexane;1-tert-butyl-1-methylcyclopentane;1-ethyl-1-methylcycloheptane;1-ethyl-1-methylcyclohexane;1-ethyl-1-methylcyclopentane;1-methyl-1-propan-2-ylcyclohexane;1-methyl-1-propan-2-ylcyclopentane
CID 159661868
1-(2,3-dimethylpentan-2-yl)-1-methylcyclobutane
CID 123373940
1-tert-butyl-1-methylcyclopropane;2,2,3-trimethylbutan-1-ol
CID 158894957
4-tert-butyl-1,4-dimethylcyclohexan-1-ol
CID 167288502
1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
CID 134373340
3-tert-butyl-3-methylthiane
CID 123315525
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
1-tert-butyl-1-methylcyclohexane;ethane;ethylcyclobutane
CID 142366405
N-methyl-2-(1-methylcyclopentyl)propan-2-amine
CID 143095268
4-tert-butyl-4-methylpiperidine-1-carbaldehyde
CID 156749838

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-methylcyclobutane;2-methylpropane?
The IUPAC name of 1-tert-butyl-1-methylcyclobutane;2-methylpropane (CID 178126062) is 1-tert-butyl-1-methylcyclobutane;2-methylpropane.
What is the SMILES notation for 1-tert-butyl-1-methylcyclobutane;2-methylpropane?
The canonical SMILES for 1-tert-butyl-1-methylcyclobutane;2-methylpropane is CC(C)(C)C1(C)CCC1.CC(C)C.
What is the InChIKey of 1-tert-butyl-1-methylcyclobutane;2-methylpropane?
The InChIKey is JMBGJVOITOFMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C4H10/c1-8(2,3)9(4)6-5-7-9;1-4(2)3/h5-7H2,1-4H3;4H,1-3H3.
What are the key properties of 1-tert-butyl-1-methylcyclobutane;2-methylpropane?
1-tert-butyl-1-methylcyclobutane;2-methylpropane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-methylcyclobutane;2-methylpropane is sourced from PubChem (CID 178126062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).