trihexoxy(2-phenylethenyl)silane

C26H46O3Si — CID 145052081

IUPACtrihexoxy(2-phenylethenyl)silane
SMILESCCCCCCO[Si](C=Cc1ccccc1)(OCCCCCC)OCCCCCC
InChIInChI=1S/C26H46O3Si/c1-4-7-10-16-22-27-30(28-23-17-11-8-5-2,29-24-18-12-9-6-3)25-21-26-19-14-13-15-20-26/h13-15,19-21,25H,4-12,16-18,22-24H2,1-3H3
InChIKeyGEMVUXDFFKQBMY-UHFFFAOYSA-N
MW434.74 g/mol
LogP7.97
Rot. Bonds20

About trihexoxy(2-phenylethenyl)silane

trihexoxy(2-phenylethenyl)silane (PubChem CID 145052081) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is trihexoxy(2-phenylethenyl)silane.

Molecular Properties

Compound Nametrihexoxy(2-phenylethenyl)silane
PubChem CID145052081
Molecular FormulaC26H46O3Si
Molecular Weight434.74 g/mol
Exact Mass434.32
IUPAC Nametrihexoxy(2-phenylethenyl)silane
SMILESCCCCCCO[Si](C=Cc1ccccc1)(OCCCCCC)OCCCCCC
InChIInChI=1S/C26H46O3Si/c1-4-7-10-16-22-27-30(28-23-17-11-8-5-2,29-24-18-12-9-6-3)25-21-26-19-14-13-15-20-26/h13-15,19-21,25H,4-12,16-18,22-24H2,1-3H3
InChIKeyGEMVUXDFFKQBMY-UHFFFAOYSA-N
XLogP7.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.74
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-phenylethenyl]-tripropoxysilane
CID 22325671
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
triethoxy-[2-[4-(2-triethoxysilylethenyl)phenyl]ethenyl]silane
CID 68851094
tributoxy(4-phenylbut-1-enyl)silane
CID 141377455
1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
[(E)-octadec-1-enyl]benzene
CID 22722345
tri(butan-2-yloxy)-[(E)-2-phenylethenyl]silane
CID 23109702
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471

Frequently Asked Questions

What is the IUPAC name of trihexoxy(2-phenylethenyl)silane?
The IUPAC name of trihexoxy(2-phenylethenyl)silane (CID 145052081) is trihexoxy(2-phenylethenyl)silane.
What is the SMILES notation for trihexoxy(2-phenylethenyl)silane?
The canonical SMILES for trihexoxy(2-phenylethenyl)silane is CCCCCCO[Si](C=Cc1ccccc1)(OCCCCCC)OCCCCCC.
What is the InChIKey of trihexoxy(2-phenylethenyl)silane?
The InChIKey is GEMVUXDFFKQBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-4-7-10-16-22-27-30(28-23-17-11-8-5-2,29-24-18-12-9-6-3)25-21-26-19-14-13-15-20-26/h13-15,19-21,25H,4-12,16-18,22-24H2,1-3H3.
What are the key properties of trihexoxy(2-phenylethenyl)silane?
trihexoxy(2-phenylethenyl)silane has a molecular weight of 434.74 g/mol, XLogP of 7.97, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihexoxy(2-phenylethenyl)silane is sourced from PubChem (CID 145052081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).