(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane

C22H30O2Si — CID 102529916

IUPAC(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
SMILESCc1cc(C)cc([Si](C)(C)c2ccccc2COC2CCCCO2)c1
InChIInChI=1S/C22H30O2Si/c1-17-13-18(2)15-20(14-17)25(3,4)21-10-6-5-9-19(21)16-24-22-11-7-8-12-23-22/h5-6,9-10,13-15,22H,7-8,11-12,16H2,1-4H3
InChIKeyLZNUXLGNXMQLDG-UHFFFAOYSA-N
MW354.57 g/mol
LogP4.17
Rot. Bonds5

About (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane

(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane (PubChem CID 102529916) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
PubChem CID102529916
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
SMILESCc1cc(C)cc([Si](C)(C)c2ccccc2COC2CCCCO2)c1
InChIInChI=1S/C22H30O2Si/c1-17-13-18(2)15-20(14-17)25(3,4)21-10-6-5-9-19(21)16-24-22-11-7-8-12-23-22/h5-6,9-10,13-15,22H,7-8,11-12,16H2,1-4H3
InChIKeyLZNUXLGNXMQLDG-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.17
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

1-benzofuran-2-yl-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 122374661
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
(3-bromo-5,5-dipentylbenzo[b][1]benzosilol-7-yl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 23643149
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
5-methyl-3-(oxan-2-yloxymethyl)pyridine-2-carbaldehyde
CID 154937589
2-[(3-methyl-2-nitrophenyl)methoxy]oxane
CID 11622955
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane?
The IUPAC name of (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane (CID 102529916) is (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane.
What is the SMILES notation for (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane?
The canonical SMILES for (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane is Cc1cc(C)cc([Si](C)(C)c2ccccc2COC2CCCCO2)c1.
What is the InChIKey of (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane?
The InChIKey is LZNUXLGNXMQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-17-13-18(2)15-20(14-17)25(3,4)21-10-6-5-9-19(21)16-24-22-11-7-8-12-23-22/h5-6,9-10,13-15,22H,7-8,11-12,16H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane?
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane has a molecular weight of 354.57 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane is sourced from PubChem (CID 102529916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).