tribenzyl cyclohexyl silicate

C27H32O4Si — CID 140793661

IUPACtribenzyl cyclohexyl silicate
SMILESc1ccc(CO[Si](OCc2ccccc2)(OCc2ccccc2)OC2CCCCC2)cc1
InChIInChI=1S/C27H32O4Si/c1-5-13-24(14-6-1)21-28-32(31-27-19-11-4-12-20-27,29-22-25-15-7-2-8-16-25)30-23-26-17-9-3-10-18-26/h1-3,5-10,13-18,27H,4,11-12,19-23H2
InChIKeyQYDHDHIJYIGOAM-UHFFFAOYSA-N
MW448.63 g/mol
LogP6.42
Rot. Bonds11

About tribenzyl cyclohexyl silicate

tribenzyl cyclohexyl silicate (PubChem CID 140793661) has the molecular formula C27H32O4Si and a molecular weight of 448.63 g/mol. Its IUPAC name is tribenzyl cyclohexyl silicate.

Molecular Properties

Compound Nametribenzyl cyclohexyl silicate
PubChem CID140793661
Molecular FormulaC27H32O4Si
Molecular Weight448.63 g/mol
Exact Mass448.21
IUPAC Nametribenzyl cyclohexyl silicate
SMILESc1ccc(CO[Si](OCc2ccccc2)(OCc2ccccc2)OC2CCCCC2)cc1
InChIInChI=1S/C27H32O4Si/c1-5-13-24(14-6-1)21-28-32(31-27-19-11-4-12-20-27,29-22-25-15-7-2-8-16-25)30-23-26-17-9-3-10-18-26/h1-3,5-10,13-18,27H,4,11-12,19-23H2
InChIKeyQYDHDHIJYIGOAM-UHFFFAOYSA-N
XLogP6.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;cyclopentyloxymethylbenzene
CID 69411306
cycloheptyloxy(phenylmethoxy)phosphane
CID 167297708
benzyl triethyl silicate
CID 14245028
4-phenylmethoxyazepane
CID 63716383
chloro-dicyclohexyloxy-phenoxysilane
CID 69485487
1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
CID 155130998
N-cyclopentyloxy-2-phenylmethoxyacetamide
CID 83202202
cyclohexylbenzene;ethenoxymethylbenzene
CID 161044898
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
N-benzyl-N-(cyclohexylmethoxy)-1-phenylmethanamine
CID 162487705
cyclohexyl(phenylmethoxy)methanol
CID 54334195

Frequently Asked Questions

What is the IUPAC name of tribenzyl cyclohexyl silicate?
The IUPAC name of tribenzyl cyclohexyl silicate (CID 140793661) is tribenzyl cyclohexyl silicate.
What is the SMILES notation for tribenzyl cyclohexyl silicate?
The canonical SMILES for tribenzyl cyclohexyl silicate is c1ccc(CO[Si](OCc2ccccc2)(OCc2ccccc2)OC2CCCCC2)cc1.
What is the InChIKey of tribenzyl cyclohexyl silicate?
The InChIKey is QYDHDHIJYIGOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O4Si/c1-5-13-24(14-6-1)21-28-32(31-27-19-11-4-12-20-27,29-22-25-15-7-2-8-16-25)30-23-26-17-9-3-10-18-26/h1-3,5-10,13-18,27H,4,11-12,19-23H2.
What are the key properties of tribenzyl cyclohexyl silicate?
tribenzyl cyclohexyl silicate has a molecular weight of 448.63 g/mol, XLogP of 6.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl cyclohexyl silicate is sourced from PubChem (CID 140793661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).