bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane

C22H33BO2Si — CID 14362702

IUPACbis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
SMILESCOc1cc(C)c(B(C[Si](C)(C)C)c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C22H33BO2Si/c1-15-10-19(24-5)11-16(2)21(15)23(14-26(7,8)9)22-17(3)12-20(25-6)13-18(22)4/h10-13H,14H2,1-9H3
InChIKeyUEHNZXIBKBAFMD-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.42
Rot. Bonds6

About bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane

bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane (PubChem CID 14362702) has the molecular formula C22H33BO2Si and a molecular weight of 368.40 g/mol. Its IUPAC name is bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane.

Molecular Properties

Compound Namebis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
PubChem CID14362702
Molecular FormulaC22H33BO2Si
Molecular Weight368.40 g/mol
Exact Mass368.23
IUPAC Namebis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
SMILESCOc1cc(C)c(B(C[Si](C)(C)C)c2c(C)cc(OC)cc2C)c(C)c1
InChIInChI=1S/C22H33BO2Si/c1-15-10-19(24-5)11-16(2)21(15)23(14-26(7,8)9)22-17(3)12-20(25-6)13-18(22)4/h10-13H,14H2,1-9H3
InChIKeyUEHNZXIBKBAFMD-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methoxy-2,6-dimethylphenyl)borinic acid
CID 3613563
(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane
CID 642713
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
6-methoxy-3,8-dimethyl-2H-1,3-benzoxazin-3-ium
CID 23390867
2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
CID 130805587
N-ethyl-4-methoxy-2,6-dimethylaniline
CID 23348858
3-(4-methoxy-2,6-dimethylphenyl)-5-methyl-1,2,4-oxadiazole
CID 13237457

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane?
The IUPAC name of bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane (CID 14362702) is bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane.
What is the SMILES notation for bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane?
The canonical SMILES for bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane is COc1cc(C)c(B(C[Si](C)(C)C)c2c(C)cc(OC)cc2C)c(C)c1.
What is the InChIKey of bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane?
The InChIKey is UEHNZXIBKBAFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BO2Si/c1-15-10-19(24-5)11-16(2)21(15)23(14-26(7,8)9)22-17(3)12-20(25-6)13-18(22)4/h10-13H,14H2,1-9H3.
What are the key properties of bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane?
bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane has a molecular weight of 368.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane is sourced from PubChem (CID 14362702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).