benzyl-dihydroxy-methylsilane

C8H12O2Si — CID 69074928

IUPACbenzyl-dihydroxy-methylsilane
SMILESC[Si](O)(O)Cc1ccccc1
InChIInChI=1S/C8H12O2Si/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyIYVUJQXWDZCVAP-UHFFFAOYSA-N
MW168.27 g/mol
LogP0.82
Rot. Bonds2

About benzyl-dihydroxy-methylsilane

benzyl-dihydroxy-methylsilane (PubChem CID 69074928) has the molecular formula C8H12O2Si and a molecular weight of 168.27 g/mol. Its IUPAC name is benzyl-dihydroxy-methylsilane.

Molecular Properties

Compound Namebenzyl-dihydroxy-methylsilane
PubChem CID69074928
Molecular FormulaC8H12O2Si
Molecular Weight168.27 g/mol
Exact Mass168.06
IUPAC Namebenzyl-dihydroxy-methylsilane
SMILESC[Si](O)(O)Cc1ccccc1
InChIInChI=1S/C8H12O2Si/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChIKeyIYVUJQXWDZCVAP-UHFFFAOYSA-N
XLogP0.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 50.82
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

benzyl-fluoro-dimethylsilane
CID 11105764
magnesium;benzyl-methanidyl-dimethylsilane;chloride
CID 15733668
dibenzyl-methyl-phenylsilane
CID 71342171
tribenzyl(tribenzylsilyl)silane
CID 4650468
N-[benzyl-(dimethylamino)-methylsilyl]-N-methylmethanamine
CID 5246647
dihydroxy-methyl-(6-phenylhexyl)silane
CID 11586756
benzyl-hydroxy-methoxy-phenylsilane
CID 175272041
benzyl-[4-[benzyl(dimethyl)silyl]but-2-enyl]-dimethylsilane
CID 86114708
benzyl-dimethyl-(3-methylbut-2-enyl)silane
CID 86181978
benzyl(tributyl)silane
CID 14614990
benzyl-methyl-diphenoxysilane
CID 140892779
trimethyl-[[4-[methyl(diphenyl)silyl]phenyl]methyl]silane
CID 139831823

Frequently Asked Questions

What is the IUPAC name of benzyl-dihydroxy-methylsilane?
The IUPAC name of benzyl-dihydroxy-methylsilane (CID 69074928) is benzyl-dihydroxy-methylsilane.
What is the SMILES notation for benzyl-dihydroxy-methylsilane?
The canonical SMILES for benzyl-dihydroxy-methylsilane is C[Si](O)(O)Cc1ccccc1.
What is the InChIKey of benzyl-dihydroxy-methylsilane?
The InChIKey is IYVUJQXWDZCVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2Si/c1-11(9,10)7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3.
What are the key properties of benzyl-dihydroxy-methylsilane?
benzyl-dihydroxy-methylsilane has a molecular weight of 168.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-dihydroxy-methylsilane is sourced from PubChem (CID 69074928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).