2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane

C9H20O3Si — CID 13026439

IUPAC2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane
SMILESCC(C)O[Si]1(C)OCC(C)(C)CO1
InChIInChI=1S/C9H20O3Si/c1-8(2)12-13(5)10-6-9(3,4)7-11-13/h8H,6-7H2,1-5H3
InChIKeyFLJOZFIOSGGQTL-UHFFFAOYSA-N
MW204.34 g/mol
LogP2.05
Rot. Bonds2

About 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane

2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane (PubChem CID 13026439) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane
PubChem CID13026439
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Name2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane
SMILESCC(C)O[Si]1(C)OCC(C)(C)CO1
InChIInChI=1S/C9H20O3Si/c1-8(2)12-13(5)10-6-9(3,4)7-11-13/h8H,6-7H2,1-5H3
InChIKeyFLJOZFIOSGGQTL-UHFFFAOYSA-N
XLogP2.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 52.05
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 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane?
The IUPAC name of 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane (CID 13026439) is 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane.
What is the SMILES notation for 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane?
The canonical SMILES for 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane is CC(C)O[Si]1(C)OCC(C)(C)CO1.
What is the InChIKey of 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane?
The InChIKey is FLJOZFIOSGGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-8(2)12-13(5)10-6-9(3,4)7-11-13/h8H,6-7H2,1-5H3.
What are the key properties of 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane?
2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane has a molecular weight of 204.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-propan-2-yloxy-1,3,2-dioxasilinane is sourced from PubChem (CID 13026439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).