1,2-dimethylcyclobutane;methylboronic acid

C7H17BO2 — CID 90968222

IUPAC1,2-dimethylcyclobutane;methylboronic acid
SMILESCB(O)O.CC1CCC1C
InChIInChI=1S/C6H12.CH5BO2/c1-5-3-4-6(5)2;1-2(3)4/h5-6H,3-4H2,1-2H3;3-4H,1H3
InChIKeyRGNKHUUSPOQVJW-UHFFFAOYSA-N
MW144.02 g/mol
LogP1.14
Rot. Bonds

About 1,2-dimethylcyclobutane;methylboronic acid

1,2-dimethylcyclobutane;methylboronic acid (PubChem CID 90968222) has the molecular formula C7H17BO2 and a molecular weight of 144.02 g/mol. Its IUPAC name is 1,2-dimethylcyclobutane;methylboronic acid.

Molecular Properties

Compound Name1,2-dimethylcyclobutane;methylboronic acid
PubChem CID90968222
Molecular FormulaC7H17BO2
Molecular Weight144.02 g/mol
Exact Mass144.13
IUPAC Name1,2-dimethylcyclobutane;methylboronic acid
SMILESCB(O)O.CC1CCC1C
InChIInChI=1S/C6H12.CH5BO2/c1-5-3-4-6(5)2;1-2(3)4/h5-6H,3-4H2,1-2H3;3-4H,1H3
InChIKeyRGNKHUUSPOQVJW-UHFFFAOYSA-N
XLogP1.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.02
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
CID 159329141
CID 159329141
(2S)-2,5-dimethylcyclopentane-1-carboxylic acid
CID 55301029
(1R,3R,4S)-3,4-dimethylcyclohexan-1-ol
CID 6994302
3,6-dimethylcyclohexane-1,2-dicarboxylic acid
CID 18356822
cis-(1S,3R)-1,2,3-trimethylcyclopentane
CID 6427077
methyl-(2-methylpyrrolidin-1-yl)borinic acid
CID 158759430
1,2-dimethylcyclobutane;pentane
CID 142846915
1,2-dimethylcyclononadecane
CID 123549851
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
1,2-dimethylcycloicosane
CID 123296856

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclobutane;methylboronic acid?
The IUPAC name of 1,2-dimethylcyclobutane;methylboronic acid (CID 90968222) is 1,2-dimethylcyclobutane;methylboronic acid.
What is the SMILES notation for 1,2-dimethylcyclobutane;methylboronic acid?
The canonical SMILES for 1,2-dimethylcyclobutane;methylboronic acid is CB(O)O.CC1CCC1C.
What is the InChIKey of 1,2-dimethylcyclobutane;methylboronic acid?
The InChIKey is RGNKHUUSPOQVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.CH5BO2/c1-5-3-4-6(5)2;1-2(3)4/h5-6H,3-4H2,1-2H3;3-4H,1H3.
What are the key properties of 1,2-dimethylcyclobutane;methylboronic acid?
1,2-dimethylcyclobutane;methylboronic acid has a molecular weight of 144.02 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclobutane;methylboronic acid is sourced from PubChem (CID 90968222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).