dodecoxy-dimethyl-(2-phenylphenoxy)silane

C26H40O2Si — CID 91744976

IUPACdodecoxy-dimethyl-(2-phenylphenoxy)silane
SMILESCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-5-6-7-8-9-10-11-12-18-23-27-29(2,3)28-26-22-17-16-21-25(26)24-19-14-13-15-20-24/h13-17,19-22H,4-12,18,23H2,1-3H3
InChIKeySKWZAPILPVJDGJ-UHFFFAOYSA-N
MW412.69 g/mol
LogP8.37
Rot. Bonds15

About dodecoxy-dimethyl-(2-phenylphenoxy)silane

dodecoxy-dimethyl-(2-phenylphenoxy)silane (PubChem CID 91744976) has the molecular formula C26H40O2Si and a molecular weight of 412.69 g/mol. Its IUPAC name is dodecoxy-dimethyl-(2-phenylphenoxy)silane.

Molecular Properties

Compound Namedodecoxy-dimethyl-(2-phenylphenoxy)silane
PubChem CID91744976
Molecular FormulaC26H40O2Si
Molecular Weight412.69 g/mol
Exact Mass412.28
IUPAC Namedodecoxy-dimethyl-(2-phenylphenoxy)silane
SMILESCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C26H40O2Si/c1-4-5-6-7-8-9-10-11-12-18-23-27-29(2,3)28-26-22-17-16-21-25(26)24-19-14-13-15-20-24/h13-17,19-22H,4-12,18,23H2,1-3H3
InChIKeySKWZAPILPVJDGJ-UHFFFAOYSA-N
XLogP8.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 58.37
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

dimethyl-octoxy-(2-phenylphenoxy)silane
CID 91734404
decoxy-diethyl-(2-phenylphenoxy)silane
CID 91736067
hexadecoxy-dimethyl-(2-methylphenoxy)silane
CID 91744863
1-octadecoxy-2-phenylbenzene
CID 70983974
dimethyl-octoxy-(4-phenylphenoxy)silane
CID 91743735
(2-chlorophenoxy)-dimethyl-tetradecoxysilane
CID 91744415
dodecoxy-(2-fluorophenoxy)-dimethylsilane
CID 91743647
dimethyl-bis(2-phenylphenoxy)silane
CID 91734394
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
(2-chlorophenoxy)-[dimethyl(undecoxy)silyl]oxy-dimethylsilane
CID 91741759
(2-chlorophenoxy)-[decoxy(dimethyl)silyl]oxy-dimethylsilane
CID 91741168
1-heptoxy-2,3-diphenylbenzene
CID 91223664

Frequently Asked Questions

What is the IUPAC name of dodecoxy-dimethyl-(2-phenylphenoxy)silane?
The IUPAC name of dodecoxy-dimethyl-(2-phenylphenoxy)silane (CID 91744976) is dodecoxy-dimethyl-(2-phenylphenoxy)silane.
What is the SMILES notation for dodecoxy-dimethyl-(2-phenylphenoxy)silane?
The canonical SMILES for dodecoxy-dimethyl-(2-phenylphenoxy)silane is CCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1-c1ccccc1.
What is the InChIKey of dodecoxy-dimethyl-(2-phenylphenoxy)silane?
The InChIKey is SKWZAPILPVJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2Si/c1-4-5-6-7-8-9-10-11-12-18-23-27-29(2,3)28-26-22-17-16-21-25(26)24-19-14-13-15-20-24/h13-17,19-22H,4-12,18,23H2,1-3H3.
What are the key properties of dodecoxy-dimethyl-(2-phenylphenoxy)silane?
dodecoxy-dimethyl-(2-phenylphenoxy)silane has a molecular weight of 412.69 g/mol, XLogP of 8.37, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxy-dimethyl-(2-phenylphenoxy)silane is sourced from PubChem (CID 91744976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).