dodecoxy-diethyl-(4-phenylphenoxy)silane

C28H44O2Si — CID 91745356

IUPACdodecoxy-diethyl-(4-phenylphenoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H44O2Si/c1-4-7-8-9-10-11-12-13-14-18-25-29-31(5-2,6-3)30-28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,4-14,18,25H2,1-3H3
InChIKeyCKRCVPNYVGEKOH-UHFFFAOYSA-N
MW440.74 g/mol
LogP9.15
Rot. Bonds17

About dodecoxy-diethyl-(4-phenylphenoxy)silane

dodecoxy-diethyl-(4-phenylphenoxy)silane (PubChem CID 91745356) has the molecular formula C28H44O2Si and a molecular weight of 440.74 g/mol. Its IUPAC name is dodecoxy-diethyl-(4-phenylphenoxy)silane.

Molecular Properties

Compound Namedodecoxy-diethyl-(4-phenylphenoxy)silane
PubChem CID91745356
Molecular FormulaC28H44O2Si
Molecular Weight440.74 g/mol
Exact Mass440.31
IUPAC Namedodecoxy-diethyl-(4-phenylphenoxy)silane
SMILESCCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H44O2Si/c1-4-7-8-9-10-11-12-13-14-18-25-29-31(5-2,6-3)30-28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,4-14,18,25H2,1-3H3
InChIKeyCKRCVPNYVGEKOH-UHFFFAOYSA-N
XLogP9.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.74
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 192197
Dihydrodiethylstilbestrol
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Benzestrol
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Isobutesrol
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4,4-Butane-2,3-diyldiphenol, 8
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(+/-)-1,2-Bis-(4-hydroxy-phenyl)-pentane
CID 44225696
4,4'-(Butane-1,1-diyl)diphenol
CID 226965
4-[2-Ethyl-1-(4-hydroxyphenyl)butyl]phenol
CID 245510
4,4'-(2-Methylpropylidene)bisphenol
CID 226969
4-[2-Ethyl-1-(4-hydroxyphenyl)hexyl]phenol
CID 13782487
(6-((tert-Butyldimethylsilyl)oxy)naphthalen-2-yl)boronic acid
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Isohexestrol
CID 234907

Frequently Asked Questions

What is the IUPAC name of dodecoxy-diethyl-(4-phenylphenoxy)silane?
The IUPAC name of dodecoxy-diethyl-(4-phenylphenoxy)silane (CID 91745356) is dodecoxy-diethyl-(4-phenylphenoxy)silane.
What is the SMILES notation for dodecoxy-diethyl-(4-phenylphenoxy)silane?
The canonical SMILES for dodecoxy-diethyl-(4-phenylphenoxy)silane is CCCCCCCCCCCCO[Si](CC)(CC)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of dodecoxy-diethyl-(4-phenylphenoxy)silane?
The InChIKey is CKRCVPNYVGEKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44O2Si/c1-4-7-8-9-10-11-12-13-14-18-25-29-31(5-2,6-3)30-28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,4-14,18,25H2,1-3H3.
What are the key properties of dodecoxy-diethyl-(4-phenylphenoxy)silane?
dodecoxy-diethyl-(4-phenylphenoxy)silane has a molecular weight of 440.74 g/mol, XLogP of 9.15, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-diethyl-(4-phenylphenoxy)silane is sourced from PubChem (CID 91745356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).