dodecoxy-diethyl-(4-methoxyphenoxy)silane

C23H42O3Si — CID 91744611

IUPACdodecoxy-diethyl-(4-methoxyphenoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(OC)cc1
InChIInChI=1S/C23H42O3Si/c1-5-8-9-10-11-12-13-14-15-16-21-25-27(6-2,7-3)26-23-19-17-22(24-4)18-20-23/h17-20H,5-16,21H2,1-4H3
InChIKeyXTENFIXUEQXAFG-UHFFFAOYSA-N
MW394.67 g/mol
LogP7.49
Rot. Bonds17

About dodecoxy-diethyl-(4-methoxyphenoxy)silane

dodecoxy-diethyl-(4-methoxyphenoxy)silane (PubChem CID 91744611) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is dodecoxy-diethyl-(4-methoxyphenoxy)silane.

Molecular Properties

Compound Namedodecoxy-diethyl-(4-methoxyphenoxy)silane
PubChem CID91744611
Molecular FormulaC23H42O3Si
Molecular Weight394.67 g/mol
Exact Mass394.29
IUPAC Namedodecoxy-diethyl-(4-methoxyphenoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(OC)cc1
InChIInChI=1S/C23H42O3Si/c1-5-8-9-10-11-12-13-14-15-16-21-25-27(6-2,7-3)26-23-19-17-22(24-4)18-20-23/h17-20H,5-16,21H2,1-4H3
InChIKeyXTENFIXUEQXAFG-UHFFFAOYSA-N
XLogP7.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.67
LogP ≤ 57.49
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-methoxyphenoxy)-dimethyl-nonoxysilane
CID 91742591
butoxy-(4-chlorophenoxy)-diethylsilane
CID 91733158
(2,6-dimethoxyphenoxy)-diethyl-tetradecoxysilane
CID 91745109
1-methoxy-4-tetradecoxybenzene
CID 91712423
(4-chloro-3-methylphenoxy)-diethyl-pentoxysilane
CID 91740979
decoxy-diethyl-nonoxysilane
CID 91743782
diethyl-pentadecoxy-tridecoxysilane
CID 91745757
diethyl-nonoxy-pentoxysilane
CID 91741088
diethyl-pentadecoxy-tetradecoxysilane
CID 91745841
dodecoxy-diethyl-octoxysilane
CID 91744145
diethyl-hexoxy-undecoxysilane
CID 91742902
diethyl-pentoxy-undecoxysilane
CID 91742318

Frequently Asked Questions

What is the IUPAC name of dodecoxy-diethyl-(4-methoxyphenoxy)silane?
The IUPAC name of dodecoxy-diethyl-(4-methoxyphenoxy)silane (CID 91744611) is dodecoxy-diethyl-(4-methoxyphenoxy)silane.
What is the SMILES notation for dodecoxy-diethyl-(4-methoxyphenoxy)silane?
The canonical SMILES for dodecoxy-diethyl-(4-methoxyphenoxy)silane is CCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(OC)cc1.
What is the InChIKey of dodecoxy-diethyl-(4-methoxyphenoxy)silane?
The InChIKey is XTENFIXUEQXAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-5-8-9-10-11-12-13-14-15-16-21-25-27(6-2,7-3)26-23-19-17-22(24-4)18-20-23/h17-20H,5-16,21H2,1-4H3.
What are the key properties of dodecoxy-diethyl-(4-methoxyphenoxy)silane?
dodecoxy-diethyl-(4-methoxyphenoxy)silane has a molecular weight of 394.67 g/mol, XLogP of 7.49, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-diethyl-(4-methoxyphenoxy)silane is sourced from PubChem (CID 91744611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).