trioxido(propoxy)silane

C3H7O4Si-3 — CID 57352608

IUPACtrioxido(propoxy)silane
SMILESCCCO[Si]([O-])([O-])[O-]
InChIInChI=1S/C3H7O4Si/c1-2-3-7-8(4,5)6/h2-3H2,1H3/q-3
InChIKeyAQAULQNSMOWRLN-UHFFFAOYSA-N
MW135.17 g/mol
LogP-3.07
Rot. Bonds3

About trioxido(propoxy)silane

trioxido(propoxy)silane (PubChem CID 57352608) has the molecular formula C3H7O4Si-3 and a molecular weight of 135.17 g/mol. Its IUPAC name is trioxido(propoxy)silane.

Molecular Properties

Compound Nametrioxido(propoxy)silane
PubChem CID57352608
Molecular FormulaC3H7O4Si-3
Molecular Weight135.17 g/mol
Exact Mass135.01
IUPAC Nametrioxido(propoxy)silane
SMILESCCCO[Si]([O-])([O-])[O-]
InChIInChI=1S/C3H7O4Si/c1-2-3-7-8(4,5)6/h2-3H2,1H3/q-3
InChIKeyAQAULQNSMOWRLN-UHFFFAOYSA-N
XLogP-3.07
TPSA78.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-3.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trioxido(propoxy)silane?
The IUPAC name of trioxido(propoxy)silane (CID 57352608) is trioxido(propoxy)silane.
What is the SMILES notation for trioxido(propoxy)silane?
The canonical SMILES for trioxido(propoxy)silane is CCCO[Si]([O-])([O-])[O-].
What is the InChIKey of trioxido(propoxy)silane?
The InChIKey is AQAULQNSMOWRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O4Si/c1-2-3-7-8(4,5)6/h2-3H2,1H3/q-3.
What are the key properties of trioxido(propoxy)silane?
trioxido(propoxy)silane has a molecular weight of 135.17 g/mol, XLogP of -3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trioxido(propoxy)silane is sourced from PubChem (CID 57352608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).