7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole

C20H24B2O4 — CID 101380524

IUPAC7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole
SMILESCc1ccc(C(C)C)c2c1OB(B1Oc3c(C)ccc(C(C)C)c3O1)O2
InChIInChI=1S/C20H24B2O4/c1-11(2)15-9-7-13(5)17-19(15)25-21(23-17)22-24-18-14(6)8-10-16(12(3)4)20(18)26-22/h7-12H,1-6H3
InChIKeyCBZPCYLLPLFIKT-UHFFFAOYSA-N
MW350.03 g/mol
LogP4.85
Rot. Bonds3

About 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole

7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole (PubChem CID 101380524) has the molecular formula C20H24B2O4 and a molecular weight of 350.03 g/mol. Its IUPAC name is 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole.

Molecular Properties

Compound Name7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole
PubChem CID101380524
Molecular FormulaC20H24B2O4
Molecular Weight350.03 g/mol
Exact Mass350.19
IUPAC Name7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole
SMILESCc1ccc(C(C)C)c2c1OB(B1Oc3c(C)ccc(C(C)C)c3O1)O2
InChIInChI=1S/C20H24B2O4/c1-11(2)15-9-7-13(5)17-19(15)25-21(23-17)22-24-18-14(6)8-10-16(12(3)4)20(18)26-22/h7-12H,1-6H3
InChIKeyCBZPCYLLPLFIKT-UHFFFAOYSA-N
XLogP4.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.03
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-5-propan-2-yl-1,4-benzodioxine
CID 145358856
8-methyl-5-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 12621940
2-propan-2-yl-5-(5-propan-2-yl-7-oxabicyclo[4.1.0]hepta-1,3,5-trien-2-yl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene
CID 175725025
bromomethane;5,13,21-trimethyl-8,16,24-tri(propan-2-yl)-2,10,18-trioxatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12,14,16,20,22-nonaene-3,11,19-trione
CID 131720578
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
2,3-dichloro-1-methyl-4-propan-2-ylbenzene;osmium(2+)
CID 161089123
(2,3-dimethyl-6-propan-2-ylphenyl)phosphane
CID 135300466
1,3-dimethyl-2,4-di(propan-2-yl)benzene;ethane
CID 145387685
4-amino-6-methyl-9-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 82247391
2-tert-butyl-3-methyl-6-propan-2-ylphenol
CID 23086797
N,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 61037728
2,5-dimethyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43537284

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole?
The IUPAC name of 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole (CID 101380524) is 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole.
What is the SMILES notation for 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole?
The canonical SMILES for 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole is Cc1ccc(C(C)C)c2c1OB(B1Oc3c(C)ccc(C(C)C)c3O1)O2.
What is the InChIKey of 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole?
The InChIKey is CBZPCYLLPLFIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24B2O4/c1-11(2)15-9-7-13(5)17-19(15)25-21(23-17)22-24-18-14(6)8-10-16(12(3)4)20(18)26-22/h7-12H,1-6H3.
What are the key properties of 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole?
7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole has a molecular weight of 350.03 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(7-methyl-4-propan-2-yl-1,3,2-benzodioxaborol-2-yl)-4-propan-2-yl-1,3,2-benzodioxaborole is sourced from PubChem (CID 101380524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).