1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol

C6H16O5Si — CID 170542201

IUPAC1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol
SMILESCCC(O)COC[Si](O)(O)OC
InChIInChI=1S/C6H16O5Si/c1-3-6(7)4-11-5-12(8,9)10-2/h6-9H,3-5H2,1-2H3
InChIKeyOXSXBWBIOLTMJB-UHFFFAOYSA-N
MW196.27 g/mol
LogP-1.12
Rot. Bonds6

About 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol

1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol (PubChem CID 170542201) has the molecular formula C6H16O5Si and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol.

Molecular Properties

Compound Name1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol
PubChem CID170542201
Molecular FormulaC6H16O5Si
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Name1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol
SMILESCCC(O)COC[Si](O)(O)OC
InChIInChI=1S/C6H16O5Si/c1-3-6(7)4-11-5-12(8,9)10-2/h6-9H,3-5H2,1-2H3
InChIKeyOXSXBWBIOLTMJB-UHFFFAOYSA-N
XLogP-1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol?
The IUPAC name of 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol (CID 170542201) is 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol.
What is the SMILES notation for 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol?
The canonical SMILES for 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol is CCC(O)COC[Si](O)(O)OC.
What is the InChIKey of 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol?
The InChIKey is OXSXBWBIOLTMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O5Si/c1-3-6(7)4-11-5-12(8,9)10-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol?
1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol has a molecular weight of 196.27 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[dihydroxy(methoxy)silyl]methoxy]butan-2-ol is sourced from PubChem (CID 170542201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).