triethoxy-(4-hexylphenyl)silane

C18H32O3Si — CID 146005025

IUPACtriethoxy-(4-hexylphenyl)silane
SMILESCCCCCCc1ccc([Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C18H32O3Si/c1-5-9-10-11-12-17-13-15-18(16-14-17)22(19-6-2,20-7-3)21-8-4/h13-16H,5-12H2,1-4H3
InChIKeyFSJRWBUPUPNHIU-UHFFFAOYSA-N
MW324.54 g/mol
LogP4.06
Rot. Bonds12

About triethoxy-(4-hexylphenyl)silane

triethoxy-(4-hexylphenyl)silane (PubChem CID 146005025) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is triethoxy-(4-hexylphenyl)silane.

Molecular Properties

Compound Nametriethoxy-(4-hexylphenyl)silane
PubChem CID146005025
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nametriethoxy-(4-hexylphenyl)silane
SMILESCCCCCCc1ccc([Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C18H32O3Si/c1-5-9-10-11-12-17-13-15-18(16-14-17)22(19-6-2,20-7-3)21-8-4/h13-16H,5-12H2,1-4H3
InChIKeyFSJRWBUPUPNHIU-UHFFFAOYSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.06
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

(4-decylphenyl)-trimethylsilane
CID 69331769
1-butyl-4-nonylbenzene
CID 59545302
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
oxo-bis[tris(4-nonylphenyl)silyloxy]phosphanium
CID 87716483
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-methyl-4-octylbenzene
CID 11052746
magnesium;1-ethyl-4-heptylbenzene;bromide
CID 156847228
triethoxy-(4-prop-2-enylphenyl)silane
CID 66685937
(4-undecylphenyl)methanethiol
CID 152658546
1-bromo-4-dodecylbenzene
CID 15120506

Frequently Asked Questions

What is the IUPAC name of triethoxy-(4-hexylphenyl)silane?
The IUPAC name of triethoxy-(4-hexylphenyl)silane (CID 146005025) is triethoxy-(4-hexylphenyl)silane.
What is the SMILES notation for triethoxy-(4-hexylphenyl)silane?
The canonical SMILES for triethoxy-(4-hexylphenyl)silane is CCCCCCc1ccc([Si](OCC)(OCC)OCC)cc1.
What is the InChIKey of triethoxy-(4-hexylphenyl)silane?
The InChIKey is FSJRWBUPUPNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-5-9-10-11-12-17-13-15-18(16-14-17)22(19-6-2,20-7-3)21-8-4/h13-16H,5-12H2,1-4H3.
What are the key properties of triethoxy-(4-hexylphenyl)silane?
triethoxy-(4-hexylphenyl)silane has a molecular weight of 324.54 g/mol, XLogP of 4.06, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(4-hexylphenyl)silane is sourced from PubChem (CID 146005025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).