triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate

C18H32O6Si — CID 175305550

IUPACtriethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
SMILESCCO[Si](OCC)(OCC)OCCOCCOCCc1ccccc1
InChIInChI=1S/C18H32O6Si/c1-4-21-25(22-5-2,23-6-3)24-17-16-20-15-14-19-13-12-18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3
InChIKeyNRQAATYTNWCKQE-UHFFFAOYSA-N
MW372.53 g/mol
LogP2.82
Rot. Bonds16

About triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate

triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate (PubChem CID 175305550) has the molecular formula C18H32O6Si and a molecular weight of 372.53 g/mol. Its IUPAC name is triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate.

Molecular Properties

Compound Nametriethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
PubChem CID175305550
Molecular FormulaC18H32O6Si
Molecular Weight372.53 g/mol
Exact Mass372.20
IUPAC Nametriethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate
SMILESCCO[Si](OCC)(OCC)OCCOCCOCCc1ccccc1
InChIInChI=1S/C18H32O6Si/c1-4-21-25(22-5-2,23-6-3)24-17-16-20-15-14-19-13-12-18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3
InChIKeyNRQAATYTNWCKQE-UHFFFAOYSA-N
XLogP2.82
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

triethyl 2-[2-[2-[2-[2-(2-phenylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl silicate
CID 175305307
benzyl triethyl silicate
CID 14245028
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
2-pentoxyethylbenzene
CID 3022447
[diethoxy(2-phenylethoxy)silyl]methanethiol
CID 141358316
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
dibenzyl 4-chlorobutyl ethyl silicate
CID 70552278
1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
2-(butoxymethoxy)ethylbenzene
CID 14640423
trimethyl(2-phenylethylperoxy)silane
CID 57150675
2-(3-fluoropropoxy)ethylbenzene
CID 177433926
benzyl-diethoxy-(3-phenylpropoxy)silane
CID 67542765

Frequently Asked Questions

What is the IUPAC name of triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate?
The IUPAC name of triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate (CID 175305550) is triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate.
What is the SMILES notation for triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate?
The canonical SMILES for triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate is CCO[Si](OCC)(OCC)OCCOCCOCCc1ccccc1.
What is the InChIKey of triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate?
The InChIKey is NRQAATYTNWCKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O6Si/c1-4-21-25(22-5-2,23-6-3)24-17-16-20-15-14-19-13-12-18-10-8-7-9-11-18/h7-11H,4-6,12-17H2,1-3H3.
What are the key properties of triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate?
triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate has a molecular weight of 372.53 g/mol, XLogP of 2.82, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 2-[2-(2-phenylethoxy)ethoxy]ethyl silicate is sourced from PubChem (CID 175305550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).