[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol

C16H30O6Si2 — CID 123655126

IUPAC[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
SMILESCO[Si](CCc1ccc(CC[Si](CO)(CO)CO)cc1)(OC)OC
InChIInChI=1S/C16H30O6Si2/c1-20-24(21-2,22-3)11-9-16-6-4-15(5-7-16)8-10-23(12-17,13-18)14-19/h4-7,17-19H,8-14H2,1-3H3
InChIKeyQOVITUZCBDNDNU-UHFFFAOYSA-N
MW374.58 g/mol
LogP0.69
Rot. Bonds12

About [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol

[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol (PubChem CID 123655126) has the molecular formula C16H30O6Si2 and a molecular weight of 374.58 g/mol. Its IUPAC name is [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol.

Molecular Properties

Compound Name[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
PubChem CID123655126
Molecular FormulaC16H30O6Si2
Molecular Weight374.58 g/mol
Exact Mass374.16
IUPAC Name[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
SMILESCO[Si](CCc1ccc(CC[Si](CO)(CO)CO)cc1)(OC)OC
InChIInChI=1S/C16H30O6Si2/c1-20-24(21-2,22-3)11-9-16-6-4-15(5-7-16)8-10-23(12-17,13-18)14-19/h4-7,17-19H,8-14H2,1-3H3
InChIKeyQOVITUZCBDNDNU-UHFFFAOYSA-N
XLogP0.69
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)ethyl-trimethoxysilane
CID 139668437
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
CID 59566689
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
tert-butyl-dimethyl-[4-(2-trimethoxysilylethyl)phenyl]silane
CID 152723809
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
CID 159040096
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
CID 170900368
trimethoxy-[2-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]ethyl]silane
CID 25261331
[4-(2-trimethoxysilylethyl)phenyl]methyl benzenecarbodithioate
CID 59524532
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
methoxy-di(propan-2-yloxy)-[2-[4-(trifluoromethyl)phenyl]ethyl]silane
CID 90173870

Frequently Asked Questions

What is the IUPAC name of [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol?
The IUPAC name of [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol (CID 123655126) is [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol.
What is the SMILES notation for [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol?
The canonical SMILES for [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol is CO[Si](CCc1ccc(CC[Si](CO)(CO)CO)cc1)(OC)OC.
What is the InChIKey of [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol?
The InChIKey is QOVITUZCBDNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6Si2/c1-20-24(21-2,22-3)11-9-16-6-4-15(5-7-16)8-10-23(12-17,13-18)14-19/h4-7,17-19H,8-14H2,1-3H3.
What are the key properties of [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol?
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol has a molecular weight of 374.58 g/mol, XLogP of 0.69, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol is sourced from PubChem (CID 123655126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).