hexadecoxy-dimethyl-(2-methylphenoxy)silane

C25H46O2Si — CID 91744863

IUPAChexadecoxy-dimethyl-(2-methylphenoxy)silane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1C
InChIInChI=1S/C25H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-28(3,4)27-25-22-19-18-21-24(25)2/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKeyLSVHGZCMHAJEPM-UHFFFAOYSA-N
MW406.73 g/mol
LogP8.57
Rot. Bonds18

About hexadecoxy-dimethyl-(2-methylphenoxy)silane

hexadecoxy-dimethyl-(2-methylphenoxy)silane (PubChem CID 91744863) has the molecular formula C25H46O2Si and a molecular weight of 406.73 g/mol. Its IUPAC name is hexadecoxy-dimethyl-(2-methylphenoxy)silane.

Molecular Properties

Compound Namehexadecoxy-dimethyl-(2-methylphenoxy)silane
PubChem CID91744863
Molecular FormulaC25H46O2Si
Molecular Weight406.73 g/mol
Exact Mass406.33
IUPAC Namehexadecoxy-dimethyl-(2-methylphenoxy)silane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1C
InChIInChI=1S/C25H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-28(3,4)27-25-22-19-18-21-24(25)2/h18-19,21-22H,5-17,20,23H2,1-4H3
InChIKeyLSVHGZCMHAJEPM-UHFFFAOYSA-N
XLogP8.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.73
LogP ≤ 58.57
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

(2-chlorophenoxy)-dimethyl-tetradecoxysilane
CID 91744415
dodecoxy-(2-fluorophenoxy)-dimethylsilane
CID 91743647
(2,5-dimethylphenoxy)-dimethyl-pentadecoxysilane
CID 91744864
butoxy-(2,3-dimethylphenoxy)-dimethylsilane
CID 91738660
dodecoxy-dimethyl-(2-phenylphenoxy)silane
CID 91744976
dimethyl-octoxy-(2-phenylphenoxy)silane
CID 91734404
1-methyl-2-pentadecoxybenzene
CID 154641785
(2-chlorophenoxy)-[decoxy(dimethyl)silyl]oxy-dimethylsilane
CID 91741168
(2-chlorophenoxy)-[dimethyl(undecoxy)silyl]oxy-dimethylsilane
CID 91741759
(2,6-dimethoxyphenoxy)-dimethyl-pentoxysilane
CID 91740000
ethane;1-methyl-2-pentoxybenzene
CID 143283195
dimethyl-octoxy-(4-phenylphenoxy)silane
CID 91743735

Frequently Asked Questions

What is the IUPAC name of hexadecoxy-dimethyl-(2-methylphenoxy)silane?
The IUPAC name of hexadecoxy-dimethyl-(2-methylphenoxy)silane (CID 91744863) is hexadecoxy-dimethyl-(2-methylphenoxy)silane.
What is the SMILES notation for hexadecoxy-dimethyl-(2-methylphenoxy)silane?
The canonical SMILES for hexadecoxy-dimethyl-(2-methylphenoxy)silane is CCCCCCCCCCCCCCCCO[Si](C)(C)Oc1ccccc1C.
What is the InChIKey of hexadecoxy-dimethyl-(2-methylphenoxy)silane?
The InChIKey is LSVHGZCMHAJEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26-28(3,4)27-25-22-19-18-21-24(25)2/h18-19,21-22H,5-17,20,23H2,1-4H3.
What are the key properties of hexadecoxy-dimethyl-(2-methylphenoxy)silane?
hexadecoxy-dimethyl-(2-methylphenoxy)silane has a molecular weight of 406.73 g/mol, XLogP of 8.57, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-dimethyl-(2-methylphenoxy)silane is sourced from PubChem (CID 91744863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).