2,2-diethoxy-4-methyloxasilolane

C8H18O3Si — CID 67389394

IUPAC2,2-diethoxy-4-methyloxasilolane
SMILESCCO[Si]1(OCC)CC(C)CO1
InChIInChI=1S/C8H18O3Si/c1-4-9-12(10-5-2)7-8(3)6-11-12/h8H,4-7H2,1-3H3
InChIKeyWLOQCAPNBCPVES-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.66
Rot. Bonds4

About 2,2-diethoxy-4-methyloxasilolane

2,2-diethoxy-4-methyloxasilolane (PubChem CID 67389394) has the molecular formula C8H18O3Si and a molecular weight of 190.31 g/mol. Its IUPAC name is 2,2-diethoxy-4-methyloxasilolane.

Molecular Properties

Compound Name2,2-diethoxy-4-methyloxasilolane
PubChem CID67389394
Molecular FormulaC8H18O3Si
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2,2-diethoxy-4-methyloxasilolane
SMILESCCO[Si]1(OCC)CC(C)CO1
InChIInChI=1S/C8H18O3Si/c1-4-9-12(10-5-2)7-8(3)6-11-12/h8H,4-7H2,1-3H3
InChIKeyWLOQCAPNBCPVES-UHFFFAOYSA-N
XLogP1.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethoxyoxasilirane
CID 140622651
2,5-diethoxy-2,5-dimethyl-1,4,2,5-dioxadisilinane
CID 90308478
2-chloro-2,4-dimethyloxasilolane
CID 15389995
2,2,7,7-tetraethoxy-3,6-dihydro-1,2,7-oxadisilepine
CID 100950891
2-(6-chloro-4-methylhex-4-enyl)-2-ethoxy-5-methyl-1,3,2-dioxasilinane
CID 66845956
5,6-dichloro-2,2-diethoxyoxasilinane
CID 66904915
2-ethoxy-2,4-dimethyl-1,3,2-dioxasiletane
CID 153467726
3-[2-[3-[[2-(3-aminopropyl)-5-methyl-1,3,2-dioxasilinan-2-yl]oxy]-2-methylpropoxy]-5-methyl-1,3,2-dioxasilinan-2-yl]propan-1-amine
CID 66619626
1-ethoxy-4-methyl-2,6,7-trioxa-1-silabicyclo[2.2.2]octane
CID 123748084
2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
CID 140723407
3,3,6,6-tetraethoxy-1,2,4,5,3,6-tetraoxadisilinane
CID 11066533
(3S,5S)-3-ethoxy-5-methyldioxolane
CID 119097936

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-4-methyloxasilolane?
The IUPAC name of 2,2-diethoxy-4-methyloxasilolane (CID 67389394) is 2,2-diethoxy-4-methyloxasilolane.
What is the SMILES notation for 2,2-diethoxy-4-methyloxasilolane?
The canonical SMILES for 2,2-diethoxy-4-methyloxasilolane is CCO[Si]1(OCC)CC(C)CO1.
What is the InChIKey of 2,2-diethoxy-4-methyloxasilolane?
The InChIKey is WLOQCAPNBCPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si/c1-4-9-12(10-5-2)7-8(3)6-11-12/h8H,4-7H2,1-3H3.
What are the key properties of 2,2-diethoxy-4-methyloxasilolane?
2,2-diethoxy-4-methyloxasilolane has a molecular weight of 190.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-4-methyloxasilolane is sourced from PubChem (CID 67389394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).