triethoxy(2-phenyloct-1-en-4-yl)silane

C20H34O3Si — CID 101379402

IUPACtriethoxy(2-phenyloct-1-en-4-yl)silane
SMILESC=C(CC(CCCC)[Si](OCC)(OCC)OCC)c1ccccc1
InChIInChI=1S/C20H34O3Si/c1-6-10-16-20(17-18(5)19-14-12-11-13-15-19)24(21-7-2,22-8-3)23-9-4/h11-15,20H,5-10,16-17H2,1-4H3
InChIKeyHNMMSJBFWKEZCM-UHFFFAOYSA-N
MW350.57 g/mol
LogP5.70
Rot. Bonds13

About triethoxy(2-phenyloct-1-en-4-yl)silane

triethoxy(2-phenyloct-1-en-4-yl)silane (PubChem CID 101379402) has the molecular formula C20H34O3Si and a molecular weight of 350.57 g/mol. Its IUPAC name is triethoxy(2-phenyloct-1-en-4-yl)silane.

Molecular Properties

Compound Nametriethoxy(2-phenyloct-1-en-4-yl)silane
PubChem CID101379402
Molecular FormulaC20H34O3Si
Molecular Weight350.57 g/mol
Exact Mass350.23
IUPAC Nametriethoxy(2-phenyloct-1-en-4-yl)silane
SMILESC=C(CC(CCCC)[Si](OCC)(OCC)OCC)c1ccccc1
InChIInChI=1S/C20H34O3Si/c1-6-10-16-20(17-18(5)19-14-12-11-13-15-19)24(21-7-2,22-8-3)23-9-4/h11-15,20H,5-10,16-17H2,1-4H3
InChIKeyHNMMSJBFWKEZCM-UHFFFAOYSA-N
XLogP5.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
butyl 2-hydroxy-4-phenylpent-4-enoate
CID 15878269
tributyl(1-phenylethenyl)phosphanium
CID 71320893
triethyl 4-phenylpent-4-ene-1,1,2-tricarboxylate
CID 162400604
ethyl 2-fluoro-4-phenylpent-4-enoate
CID 166658649
tributyl(2-phenylprop-2-enyl)azanium
CID 20792578
ethyl (2R)-2-(benzhydrylamino)-4-phenylpent-4-enoate
CID 58666213
3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
pent-1-en-2-ylbenzene
CID 521761
(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492

Frequently Asked Questions

What is the IUPAC name of triethoxy(2-phenyloct-1-en-4-yl)silane?
The IUPAC name of triethoxy(2-phenyloct-1-en-4-yl)silane (CID 101379402) is triethoxy(2-phenyloct-1-en-4-yl)silane.
What is the SMILES notation for triethoxy(2-phenyloct-1-en-4-yl)silane?
The canonical SMILES for triethoxy(2-phenyloct-1-en-4-yl)silane is C=C(CC(CCCC)[Si](OCC)(OCC)OCC)c1ccccc1.
What is the InChIKey of triethoxy(2-phenyloct-1-en-4-yl)silane?
The InChIKey is HNMMSJBFWKEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3Si/c1-6-10-16-20(17-18(5)19-14-12-11-13-15-19)24(21-7-2,22-8-3)23-9-4/h11-15,20H,5-10,16-17H2,1-4H3.
What are the key properties of triethoxy(2-phenyloct-1-en-4-yl)silane?
triethoxy(2-phenyloct-1-en-4-yl)silane has a molecular weight of 350.57 g/mol, XLogP of 5.70, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(2-phenyloct-1-en-4-yl)silane is sourced from PubChem (CID 101379402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).