dimethyl-octoxy-(4-phenylphenoxy)silane

C22H32O2Si — CID 91743735

IUPACdimethyl-octoxy-(4-phenylphenoxy)silane
SMILESCCCCCCCCO[Si](C)(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H32O2Si/c1-4-5-6-7-8-12-19-23-25(2,3)24-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h9-11,13-18H,4-8,12,19H2,1-3H3
InChIKeyAUUGZJQNPRAVQB-UHFFFAOYSA-N
MW356.58 g/mol
LogP6.81
Rot. Bonds11

About dimethyl-octoxy-(4-phenylphenoxy)silane

dimethyl-octoxy-(4-phenylphenoxy)silane (PubChem CID 91743735) has the molecular formula C22H32O2Si and a molecular weight of 356.58 g/mol. Its IUPAC name is dimethyl-octoxy-(4-phenylphenoxy)silane.

Molecular Properties

Compound Namedimethyl-octoxy-(4-phenylphenoxy)silane
PubChem CID91743735
Molecular FormulaC22H32O2Si
Molecular Weight356.58 g/mol
Exact Mass356.22
IUPAC Namedimethyl-octoxy-(4-phenylphenoxy)silane
SMILESCCCCCCCCO[Si](C)(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H32O2Si/c1-4-5-6-7-8-12-19-23-25(2,3)24-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h9-11,13-18H,4-8,12,19H2,1-3H3
InChIKeyAUUGZJQNPRAVQB-UHFFFAOYSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.58
LogP ≤ 56.81
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-[4-(2-phenylpropan-2-yl)phenoxy]-undecoxysilane
CID 91745154
(4-methoxyphenoxy)-dimethyl-nonoxysilane
CID 91742591
dimethyl-octoxy-(2-phenylphenoxy)silane
CID 91734404
dodecoxy-dimethyl-(2-phenylphenoxy)silane
CID 91744976
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-pentoxy-4-phenylbenzene
CID 7021155
butoxy-(4-ethylphenoxy)-dimethylsilane
CID 91738659
hexadecoxy-dimethyl-(2-methylphenoxy)silane
CID 91744863
dodecoxy-(2-fluorophenoxy)-dimethylsilane
CID 91743647
(2-chlorophenoxy)-dimethyl-tetradecoxysilane
CID 91744415
1,1'-biphenyl;hexadecane
CID 173308514
ethenyl-methyl-phenoxy-tridecoxysilane
CID 91743893

Frequently Asked Questions

What is the IUPAC name of dimethyl-octoxy-(4-phenylphenoxy)silane?
The IUPAC name of dimethyl-octoxy-(4-phenylphenoxy)silane (CID 91743735) is dimethyl-octoxy-(4-phenylphenoxy)silane.
What is the SMILES notation for dimethyl-octoxy-(4-phenylphenoxy)silane?
The canonical SMILES for dimethyl-octoxy-(4-phenylphenoxy)silane is CCCCCCCCO[Si](C)(C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of dimethyl-octoxy-(4-phenylphenoxy)silane?
The InChIKey is AUUGZJQNPRAVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2Si/c1-4-5-6-7-8-12-19-23-25(2,3)24-22-17-15-21(16-18-22)20-13-10-9-11-14-20/h9-11,13-18H,4-8,12,19H2,1-3H3.
What are the key properties of dimethyl-octoxy-(4-phenylphenoxy)silane?
dimethyl-octoxy-(4-phenylphenoxy)silane has a molecular weight of 356.58 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octoxy-(4-phenylphenoxy)silane is sourced from PubChem (CID 91743735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).