trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane

C22H37Cl5OSi2 — CID 86092710

IUPACtrichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
SMILESCCCCCCCCCCCCCCCCO[Si](Cl)(Cl)c1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C22H37Cl5OSi2/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/h16-19H,2-15,20H2,1H3
InChIKeyRZBWMBMQTIBQHS-UHFFFAOYSA-N
MW550.97 g/mol
LogP8.67
Rot. Bonds18

About trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane

trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane (PubChem CID 86092710) has the molecular formula C22H37Cl5OSi2 and a molecular weight of 550.97 g/mol. Its IUPAC name is trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane.

Molecular Properties

Compound Nametrichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
PubChem CID86092710
Molecular FormulaC22H37Cl5OSi2
Molecular Weight550.97 g/mol
Exact Mass548.08
IUPAC Nametrichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane
SMILESCCCCCCCCCCCCCCCCO[Si](Cl)(Cl)c1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C22H37Cl5OSi2/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/h16-19H,2-15,20H2,1H3
InChIKeyRZBWMBMQTIBQHS-UHFFFAOYSA-N
XLogP8.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.97
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trichloro(hexoxy)silane
CID 524762
dichloro(diheptoxy)silane
CID 139999080
hexadecoxy-dihydroxy-(4-trihydroxysilylphenyl)silane
CID 102181209
trichloro(pentoxy)silane
CID 524763
chloro-diethyl-octoxysilane
CID 91735680
chloro-dodecyl-dioctoxysilane
CID 154096058
dichloro-octoxy-octylsilane
CID 176895817
(4-butoxyphenyl)-dichloro-hexylsilane
CID 139899604
nonyl tripentyl silicate
CID 141280747
decyl trihexyl silicate
CID 141280760
triheptyl pentyl silicate
CID 141280740
dibutoxy-[4-[dibutoxy(propyl)silyl]phenyl]-propylsilane
CID 66773461

Frequently Asked Questions

What is the IUPAC name of trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane?
The IUPAC name of trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane (CID 86092710) is trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane.
What is the SMILES notation for trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane?
The canonical SMILES for trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane is CCCCCCCCCCCCCCCCO[Si](Cl)(Cl)c1ccc([Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane?
The InChIKey is RZBWMBMQTIBQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37Cl5OSi2/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/h16-19H,2-15,20H2,1H3.
What are the key properties of trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane?
trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane has a molecular weight of 550.97 g/mol, XLogP of 8.67, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[4-[dichloro(hexadecoxy)silyl]phenyl]silane is sourced from PubChem (CID 86092710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).