2-methyl-1,3-di(methyl)cyclobutane

C7H12+2 — CID 91257797

IUPAC2-methyl-1,3-di(methyl)cyclobutane
SMILES[CH2+]C1CC([CH2+])C1C
InChIInChI=1S/C7H12/c1-5-4-6(2)7(5)3/h5-7H,1-2,4H2,3H3/q+2
InChIKeyJFZGSZBRYCZESW-UHFFFAOYSA-N
MW96.17 g/mol
LogP1.93
Rot. Bonds

About 2-methyl-1,3-di(methyl)cyclobutane

2-methyl-1,3-di(methyl)cyclobutane (PubChem CID 91257797) has the molecular formula C7H12+2 and a molecular weight of 96.17 g/mol. Its IUPAC name is 2-methyl-1,3-di(methyl)cyclobutane.

Molecular Properties

Compound Name2-methyl-1,3-di(methyl)cyclobutane
PubChem CID91257797
Molecular FormulaC7H12+2
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name2-methyl-1,3-di(methyl)cyclobutane
SMILES[CH2+]C1CC([CH2+])C1C
InChIInChI=1S/C7H12/c1-5-4-6(2)7(5)3/h5-7H,1-2,4H2,3H3/q+2
InChIKeyJFZGSZBRYCZESW-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-methylcyclopropane
CID 156629370
2,3-dimethyl-5-methylbicyclo[2.2.1]heptane
CID 144530808
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
5,6-dimethylbicyclo[2.2.1]hept-2-ene;ethane
CID 90928180
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
(1R,3R,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 163414856
(1R,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
CID 91107187
2,4,9-trimethyladamantane
CID 140700120

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-di(methyl)cyclobutane?
The IUPAC name of 2-methyl-1,3-di(methyl)cyclobutane (CID 91257797) is 2-methyl-1,3-di(methyl)cyclobutane.
What is the SMILES notation for 2-methyl-1,3-di(methyl)cyclobutane?
The canonical SMILES for 2-methyl-1,3-di(methyl)cyclobutane is [CH2+]C1CC([CH2+])C1C.
What is the InChIKey of 2-methyl-1,3-di(methyl)cyclobutane?
The InChIKey is JFZGSZBRYCZESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-5-4-6(2)7(5)3/h5-7H,1-2,4H2,3H3/q+2.
What are the key properties of 2-methyl-1,3-di(methyl)cyclobutane?
2-methyl-1,3-di(methyl)cyclobutane has a molecular weight of 96.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-di(methyl)cyclobutane is sourced from PubChem (CID 91257797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).