dioxan-3-yloxysilane

C4H10O3Si — CID 173391585

IUPACdioxan-3-yloxysilane
SMILES[SiH3]OC1CCCOO1
InChIInChI=1S/C4H10O3Si/c8-7-4-2-1-3-5-6-4/h4H,1-3H2,8H3
InChIKeyIOCUGRQQSREUEL-UHFFFAOYSA-N
MW134.21 g/mol
LogP-0.65
Rot. Bonds1

About dioxan-3-yloxysilane

dioxan-3-yloxysilane (PubChem CID 173391585) has the molecular formula C4H10O3Si and a molecular weight of 134.21 g/mol. Its IUPAC name is dioxan-3-yloxysilane.

Molecular Properties

Compound Namedioxan-3-yloxysilane
PubChem CID173391585
Molecular FormulaC4H10O3Si
Molecular Weight134.21 g/mol
Exact Mass134.04
IUPAC Namedioxan-3-yloxysilane
SMILES[SiH3]OC1CCCOO1
InChIInChI=1S/C4H10O3Si/c8-7-4-2-1-3-5-6-4/h4H,1-3H2,8H3
InChIKeyIOCUGRQQSREUEL-UHFFFAOYSA-N
XLogP-0.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dioxocan-3-yl dihydrogen phosphate
CID 141167919
dioxan-3-ol
CID 11970579
dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229846
3-(chloromethyl)dioxane
CID 18759262
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
1-(dioxan-3-yl)ethanol
CID 24972418
3-fluorodioxolane
CID 19010972
2-(4-cyclopropyl-2-methylbut-3-yn-2-yl)oxyoxolane
CID 10313514
trioxepane-4-carboxylic acid
CID 174899438
lithium trioxepane-4-carboxylate
CID 175798108
3-(1-adamantyl)dioxane
CID 87919766
3-(3-bromopropyl)dioxane
CID 19381996

Frequently Asked Questions

What is the IUPAC name of dioxan-3-yloxysilane?
The IUPAC name of dioxan-3-yloxysilane (CID 173391585) is dioxan-3-yloxysilane.
What is the SMILES notation for dioxan-3-yloxysilane?
The canonical SMILES for dioxan-3-yloxysilane is [SiH3]OC1CCCOO1.
What is the InChIKey of dioxan-3-yloxysilane?
The InChIKey is IOCUGRQQSREUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3Si/c8-7-4-2-1-3-5-6-4/h4H,1-3H2,8H3.
What are the key properties of dioxan-3-yloxysilane?
dioxan-3-yloxysilane has a molecular weight of 134.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxan-3-yloxysilane is sourced from PubChem (CID 173391585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).