trihydroxy(octadecoxy)silane

C18H40O4Si — CID 87221804

IUPACtrihydroxy(octadecoxy)silane
SMILESCCCCCCCCCCCCCCCCCCO[Si](O)(O)O
InChIInChI=1S/C18H40O4Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h19-21H,2-18H2,1H3
InChIKeyKCAQMNLFUZFYKH-UHFFFAOYSA-N
MW348.60 g/mol
LogP4.68
Rot. Bonds18

About trihydroxy(octadecoxy)silane

trihydroxy(octadecoxy)silane (PubChem CID 87221804) has the molecular formula C18H40O4Si and a molecular weight of 348.60 g/mol. Its IUPAC name is trihydroxy(octadecoxy)silane.

Molecular Properties

Compound Nametrihydroxy(octadecoxy)silane
PubChem CID87221804
Molecular FormulaC18H40O4Si
Molecular Weight348.60 g/mol
Exact Mass348.27
IUPAC Nametrihydroxy(octadecoxy)silane
SMILESCCCCCCCCCCCCCCCCCCO[Si](O)(O)O
InChIInChI=1S/C18H40O4Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h19-21H,2-18H2,1H3
InChIKeyKCAQMNLFUZFYKH-UHFFFAOYSA-N
XLogP4.68
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy(octadecoxy)silane?
The IUPAC name of trihydroxy(octadecoxy)silane (CID 87221804) is trihydroxy(octadecoxy)silane.
What is the SMILES notation for trihydroxy(octadecoxy)silane?
The canonical SMILES for trihydroxy(octadecoxy)silane is CCCCCCCCCCCCCCCCCCO[Si](O)(O)O.
What is the InChIKey of trihydroxy(octadecoxy)silane?
The InChIKey is KCAQMNLFUZFYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21/h19-21H,2-18H2,1H3.
What are the key properties of trihydroxy(octadecoxy)silane?
trihydroxy(octadecoxy)silane has a molecular weight of 348.60 g/mol, XLogP of 4.68, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy(octadecoxy)silane is sourced from PubChem (CID 87221804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).