di(cyclooctyl)-diphenoxysilane

C28H40O2Si — CID 139991745

IUPACdi(cyclooctyl)-diphenoxysilane
SMILESc1ccc(O[Si](Oc2ccccc2)(C2CCCCCCC2)C2CCCCCCC2)cc1
InChIInChI=1S/C28H40O2Si/c1-3-13-21-27(22-14-4-1)31(29-25-17-9-7-10-18-25,30-26-19-11-8-12-20-26)28-23-15-5-2-6-16-24-28/h7-12,17-20,27-28H,1-6,13-16,21-24H2
InChIKeyFJZCNQASBJUPIG-UHFFFAOYSA-N
MW436.71 g/mol
LogP8.82
Rot. Bonds6

About di(cyclooctyl)-diphenoxysilane

di(cyclooctyl)-diphenoxysilane (PubChem CID 139991745) has the molecular formula C28H40O2Si and a molecular weight of 436.71 g/mol. Its IUPAC name is di(cyclooctyl)-diphenoxysilane.

Molecular Properties

Compound Namedi(cyclooctyl)-diphenoxysilane
PubChem CID139991745
Molecular FormulaC28H40O2Si
Molecular Weight436.71 g/mol
Exact Mass436.28
IUPAC Namedi(cyclooctyl)-diphenoxysilane
SMILESc1ccc(O[Si](Oc2ccccc2)(C2CCCCCCC2)C2CCCCCCC2)cc1
InChIInChI=1S/C28H40O2Si/c1-3-13-21-27(22-14-4-1)31(29-25-17-9-7-10-18-25,30-26-19-11-8-12-20-26)28-23-15-5-2-6-16-24-28/h7-12,17-20,27-28H,1-6,13-16,21-24H2
InChIKeyFJZCNQASBJUPIG-UHFFFAOYSA-N
XLogP8.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.71
LogP ≤ 58.82
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

chloro-dicyclohexyloxy-phenoxysilane
CID 69485487
bis(2-bicyclo[2.2.1]heptanyl)-diphenoxysilane
CID 66915791
cyclohexyl-dimethoxy-phenylsilane
CID 54389963
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
cyclohexyl-iodo-diphenylsilane
CID 71429337
cyclohexyl-(4-methoxyphenoxy)-dimethylsilane
CID 532618
cyclohexylmethoxybenzene
CID 14399287
cyclopentyl-(9H-fluoren-9-yl)-dimethoxysilane
CID 54179598
2-phenoxycyclooctan-1-ol
CID 22247671
phenol;tricyclohexyl(hydroxy)silane;zirconium
CID 140942701
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
cyclohexyl-dimethoxy-(3-phenylcyclopenta-2,4-dien-1-yl)silane
CID 139803126

Frequently Asked Questions

What is the IUPAC name of di(cyclooctyl)-diphenoxysilane?
The IUPAC name of di(cyclooctyl)-diphenoxysilane (CID 139991745) is di(cyclooctyl)-diphenoxysilane.
What is the SMILES notation for di(cyclooctyl)-diphenoxysilane?
The canonical SMILES for di(cyclooctyl)-diphenoxysilane is c1ccc(O[Si](Oc2ccccc2)(C2CCCCCCC2)C2CCCCCCC2)cc1.
What is the InChIKey of di(cyclooctyl)-diphenoxysilane?
The InChIKey is FJZCNQASBJUPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O2Si/c1-3-13-21-27(22-14-4-1)31(29-25-17-9-7-10-18-25,30-26-19-11-8-12-20-26)28-23-15-5-2-6-16-24-28/h7-12,17-20,27-28H,1-6,13-16,21-24H2.
What are the key properties of di(cyclooctyl)-diphenoxysilane?
di(cyclooctyl)-diphenoxysilane has a molecular weight of 436.71 g/mol, XLogP of 8.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclooctyl)-diphenoxysilane is sourced from PubChem (CID 139991745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).