dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane

C27H50O4Si — CID 86258533

IUPACdodecyl-diethoxy-(4-phenylmethoxybutoxy)silane
SMILESCCCCCCCCCCCC[Si](OCC)(OCC)OCCCCOCc1ccccc1
InChIInChI=1S/C27H50O4Si/c1-4-7-8-9-10-11-12-13-14-20-25-32(29-5-2,30-6-3)31-24-19-18-23-28-26-27-21-16-15-17-22-27/h15-17,21-22H,4-14,18-20,23-26H2,1-3H3
InChIKeyGJWWMKPETGORBJ-UHFFFAOYSA-N
MW466.78 g/mol
LogP7.93
Rot. Bonds23

About dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane

dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane (PubChem CID 86258533) has the molecular formula C27H50O4Si and a molecular weight of 466.78 g/mol. Its IUPAC name is dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane.

Molecular Properties

Compound Namedodecyl-diethoxy-(4-phenylmethoxybutoxy)silane
PubChem CID86258533
Molecular FormulaC27H50O4Si
Molecular Weight466.78 g/mol
Exact Mass466.35
IUPAC Namedodecyl-diethoxy-(4-phenylmethoxybutoxy)silane
SMILESCCCCCCCCCCCC[Si](OCC)(OCC)OCCCCOCc1ccccc1
InChIInChI=1S/C27H50O4Si/c1-4-7-8-9-10-11-12-13-14-20-25-32(29-5-2,30-6-3)31-24-19-18-23-28-26-27-21-16-15-17-22-27/h15-17,21-22H,4-14,18-20,23-26H2,1-3H3
InChIKeyGJWWMKPETGORBJ-UHFFFAOYSA-N
XLogP7.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.78
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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2-dodecoxyethoxymethylbenzene
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formaldehyde;octoxymethylbenzene;tungsten
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trimethyl(11-phenylmethoxyundecyl)silane
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butoxymethylbenzene;ethane
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[(E)-hexacos-15-enoxy]methylbenzene
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CID 134976299

Frequently Asked Questions

What is the IUPAC name of dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane?
The IUPAC name of dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane (CID 86258533) is dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane.
What is the SMILES notation for dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane?
The canonical SMILES for dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane is CCCCCCCCCCCC[Si](OCC)(OCC)OCCCCOCc1ccccc1.
What is the InChIKey of dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane?
The InChIKey is GJWWMKPETGORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50O4Si/c1-4-7-8-9-10-11-12-13-14-20-25-32(29-5-2,30-6-3)31-24-19-18-23-28-26-27-21-16-15-17-22-27/h15-17,21-22H,4-14,18-20,23-26H2,1-3H3.
What are the key properties of dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane?
dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane has a molecular weight of 466.78 g/mol, XLogP of 7.93, 23 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-diethoxy-(4-phenylmethoxybutoxy)silane is sourced from PubChem (CID 86258533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).