hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane

C22H42O6Si2 — CID 102181209

IUPAChexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane
SMILESCCCCCCCCCCCCCCCCO[Si](O)(O)c1ccc([Si](O)(O)O)cc1
InChIInChI=1S/C22H42O6Si2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-30(26,27)22-18-16-21(17-19-22)29(23,24)25/h16-19,23-27H,2-15,20H2,1H3
InChIKeyZXKHFMMCSPNCPU-UHFFFAOYSA-N
MW458.74 g/mol
LogP2.44
Rot. Bonds18

About hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane

hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane (PubChem CID 102181209) has the molecular formula C22H42O6Si2 and a molecular weight of 458.74 g/mol. Its IUPAC name is hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane.

Molecular Properties

Compound Namehexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane
PubChem CID102181209
Molecular FormulaC22H42O6Si2
Molecular Weight458.74 g/mol
Exact Mass458.25
IUPAC Namehexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane
SMILESCCCCCCCCCCCCCCCCO[Si](O)(O)c1ccc([Si](O)(O)O)cc1
InChIInChI=1S/C22H42O6Si2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-30(26,27)22-18-16-21(17-19-22)29(23,24)25/h16-19,23-27H,2-15,20H2,1H3
InChIKeyZXKHFMMCSPNCPU-UHFFFAOYSA-N
XLogP2.44
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.74
LogP ≤ 52.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

bis(4-docosoxyphenyl)-dihydroxysilane
CID 69138050
trihydroxy(tetradecoxy)silane
CID 87382904
didodecoxy(dihydroxy)silane
CID 175350678
trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
CID 86092710
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461
hexoxy-dimethyl-nonoxysilane
CID 91741085
triheptoxy(methyl)silane
CID 525768
tri(icosoxy)-methylsilane
CID 163923848

Frequently Asked Questions

What is the IUPAC name of hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane?
The IUPAC name of hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane (CID 102181209) is hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane.
What is the SMILES notation for hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane?
The canonical SMILES for hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane is CCCCCCCCCCCCCCCCO[Si](O)(O)c1ccc([Si](O)(O)O)cc1.
What is the InChIKey of hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane?
The InChIKey is ZXKHFMMCSPNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O6Si2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-30(26,27)22-18-16-21(17-19-22)29(23,24)25/h16-19,23-27H,2-15,20H2,1H3.
What are the key properties of hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane?
hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane has a molecular weight of 458.74 g/mol, XLogP of 2.44, 18 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane is sourced from PubChem (CID 102181209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).