6-butyl-2,2-dimethoxyoxasilinane

C10H22O3Si — CID 70372276

IUPAC6-butyl-2,2-dimethoxyoxasilinane
SMILESCCCCC1CCC[Si](OC)(OC)O1
InChIInChI=1S/C10H22O3Si/c1-4-5-7-10-8-6-9-14(11-2,12-3)13-10/h10H,4-9H2,1-3H3
InChIKeyYKJCFWWXASLTKE-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.59
Rot. Bonds5

About 6-butyl-2,2-dimethoxyoxasilinane

6-butyl-2,2-dimethoxyoxasilinane (PubChem CID 70372276) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 6-butyl-2,2-dimethoxyoxasilinane.

Molecular Properties

Compound Name6-butyl-2,2-dimethoxyoxasilinane
PubChem CID70372276
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name6-butyl-2,2-dimethoxyoxasilinane
SMILESCCCCC1CCC[Si](OC)(OC)O1
InChIInChI=1S/C10H22O3Si/c1-4-5-7-10-8-6-9-14(11-2,12-3)13-10/h10H,4-9H2,1-3H3
InChIKeyYKJCFWWXASLTKE-UHFFFAOYSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-butyl-2,2-dimethoxyoxasilinane?
The IUPAC name of 6-butyl-2,2-dimethoxyoxasilinane (CID 70372276) is 6-butyl-2,2-dimethoxyoxasilinane.
What is the SMILES notation for 6-butyl-2,2-dimethoxyoxasilinane?
The canonical SMILES for 6-butyl-2,2-dimethoxyoxasilinane is CCCCC1CCC[Si](OC)(OC)O1.
What is the InChIKey of 6-butyl-2,2-dimethoxyoxasilinane?
The InChIKey is YKJCFWWXASLTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-4-5-7-10-8-6-9-14(11-2,12-3)13-10/h10H,4-9H2,1-3H3.
What are the key properties of 6-butyl-2,2-dimethoxyoxasilinane?
6-butyl-2,2-dimethoxyoxasilinane has a molecular weight of 218.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,2-dimethoxyoxasilinane is sourced from PubChem (CID 70372276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).