4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

C7H14B2O4 — CID 162469030

IUPAC4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
SMILESCC1COB(CB2OCC(C)O2)O1
InChIInChI=1S/C7H14B2O4/c1-6-3-10-8(12-6)5-9-11-4-7(2)13-9/h6-7H,3-5H2,1-2H3
InChIKeySZIDWPXLVVRYJA-UHFFFAOYSA-N
MW183.81 g/mol
LogP0.37
Rot. Bonds2

About 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane

4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (PubChem CID 162469030) has the molecular formula C7H14B2O4 and a molecular weight of 183.81 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
PubChem CID162469030
Molecular FormulaC7H14B2O4
Molecular Weight183.81 g/mol
Exact Mass184.11
IUPAC Name4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
SMILESCC1COB(CB2OCC(C)O2)O1
InChIInChI=1S/C7H14B2O4/c1-6-3-10-8(12-6)5-9-11-4-7(2)13-9/h6-7H,3-5H2,1-2H3
InChIKeySZIDWPXLVVRYJA-UHFFFAOYSA-N
XLogP0.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.81
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl-dimethyl-(4-methyl-1,3,2-dioxaborolan-2-yl)azanium
CID 123242734
5-methyl-2-(2-methylpropyl)-1,3,2-dioxaborinane
CID 15006035
λ2-plumbane;2-methyloxirane
CID 173222692
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
4,4,5-trimethyl-2-(2-methylpropyl)-1,3,2-dioxaborinane
CID 123437819
zinc;2-methyloxirane;dichloride
CID 21163562
2-methyloxirane;molecular iodine
CID 91277313
magnesium;hydride;2-methyloxirane
CID 173126818
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
2-butyl-6-methyl-1,3,2-dioxaborinan-4-one
CID 551048
4-methyl-2-propoxy-1,3-dioxolane
CID 88804523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The IUPAC name of 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane (CID 162469030) is 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is CC1COB(CB2OCC(C)O2)O1.
What is the InChIKey of 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
The InChIKey is SZIDWPXLVVRYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14B2O4/c1-6-3-10-8(12-6)5-9-11-4-7(2)13-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane?
4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane has a molecular weight of 183.81 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 162469030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).