2-methyl-2-propoxyoxasilinane

C8H18O2Si — CID 70135100

IUPAC2-methyl-2-propoxyoxasilinane
SMILESCCCO[Si]1(C)CCCCO1
InChIInChI=1S/C8H18O2Si/c1-3-6-9-11(2)8-5-4-7-10-11/h3-8H2,1-2H3
InChIKeyMSUVBRLIEBXSDK-UHFFFAOYSA-N
MW174.32 g/mol
LogP2.30
Rot. Bonds3

About 2-methyl-2-propoxyoxasilinane

2-methyl-2-propoxyoxasilinane (PubChem CID 70135100) has the molecular formula C8H18O2Si and a molecular weight of 174.32 g/mol. Its IUPAC name is 2-methyl-2-propoxyoxasilinane.

Molecular Properties

Compound Name2-methyl-2-propoxyoxasilinane
PubChem CID70135100
Molecular FormulaC8H18O2Si
Molecular Weight174.32 g/mol
Exact Mass174.11
IUPAC Name2-methyl-2-propoxyoxasilinane
SMILESCCCO[Si]1(C)CCCCO1
InChIInChI=1S/C8H18O2Si/c1-3-6-9-11(2)8-5-4-7-10-11/h3-8H2,1-2H3
InChIKeyMSUVBRLIEBXSDK-UHFFFAOYSA-N
XLogP2.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-2-propoxyoxasilinane?
The IUPAC name of 2-methyl-2-propoxyoxasilinane (CID 70135100) is 2-methyl-2-propoxyoxasilinane.
What is the SMILES notation for 2-methyl-2-propoxyoxasilinane?
The canonical SMILES for 2-methyl-2-propoxyoxasilinane is CCCO[Si]1(C)CCCCO1.
What is the InChIKey of 2-methyl-2-propoxyoxasilinane?
The InChIKey is MSUVBRLIEBXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2Si/c1-3-6-9-11(2)8-5-4-7-10-11/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-propoxyoxasilinane?
2-methyl-2-propoxyoxasilinane has a molecular weight of 174.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propoxyoxasilinane is sourced from PubChem (CID 70135100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).