cyclobutylbenzene;triethoxysilane

C16H28O3Si — CID 174943415

IUPACcyclobutylbenzene;triethoxysilane
SMILESCCO[SiH](OCC)OCC.c1ccc(C2CCC2)cc1
InChIInChI=1S/C10H12.C6H16O3Si/c1-2-5-9(6-3-1)10-7-4-8-10;1-4-7-10(8-5-2)9-6-3/h1-3,5-6,10H,4,7-8H2;10H,4-6H2,1-3H3
InChIKeyTURDYWVEOISWJK-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.77
Rot. Bonds7

About cyclobutylbenzene;triethoxysilane

cyclobutylbenzene;triethoxysilane (PubChem CID 174943415) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is cyclobutylbenzene;triethoxysilane.

Molecular Properties

Compound Namecyclobutylbenzene;triethoxysilane
PubChem CID174943415
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Namecyclobutylbenzene;triethoxysilane
SMILESCCO[SiH](OCC)OCC.c1ccc(C2CCC2)cc1
InChIInChI=1S/C10H12.C6H16O3Si/c1-2-5-9(6-3-1)10-7-4-8-10;1-4-7-10(8-5-2)9-6-3/h1-3,5-6,10H,4,7-8H2;10H,4-6H2,1-3H3
InChIKeyTURDYWVEOISWJK-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutylbenzene;triethoxysilane?
The IUPAC name of cyclobutylbenzene;triethoxysilane (CID 174943415) is cyclobutylbenzene;triethoxysilane.
What is the SMILES notation for cyclobutylbenzene;triethoxysilane?
The canonical SMILES for cyclobutylbenzene;triethoxysilane is CCO[SiH](OCC)OCC.c1ccc(C2CCC2)cc1.
What is the InChIKey of cyclobutylbenzene;triethoxysilane?
The InChIKey is TURDYWVEOISWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C6H16O3Si/c1-2-5-9(6-3-1)10-7-4-8-10;1-4-7-10(8-5-2)9-6-3/h1-3,5-6,10H,4,7-8H2;10H,4-6H2,1-3H3.
What are the key properties of cyclobutylbenzene;triethoxysilane?
cyclobutylbenzene;triethoxysilane has a molecular weight of 296.48 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylbenzene;triethoxysilane is sourced from PubChem (CID 174943415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).