1,1,2-triethoxy-2-propan-2-ylsilinane

C14H30O3Si — CID 174660505

IUPAC1,1,2-triethoxy-2-propan-2-ylsilinane
SMILESCCOC1(C(C)C)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-6-15-14(13(4)5)11-9-10-12-18(14,16-7-2)17-8-3/h13H,6-12H2,1-5H3
InChIKeyYVHKLZCTKVZORV-UHFFFAOYSA-N
MW274.48 g/mol
LogP3.66
Rot. Bonds7

About 1,1,2-triethoxy-2-propan-2-ylsilinane

1,1,2-triethoxy-2-propan-2-ylsilinane (PubChem CID 174660505) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is 1,1,2-triethoxy-2-propan-2-ylsilinane.

Molecular Properties

Compound Name1,1,2-triethoxy-2-propan-2-ylsilinane
PubChem CID174660505
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name1,1,2-triethoxy-2-propan-2-ylsilinane
SMILESCCOC1(C(C)C)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H30O3Si/c1-6-15-14(13(4)5)11-9-10-12-18(14,16-7-2)17-8-3/h13H,6-12H2,1-5H3
InChIKeyYVHKLZCTKVZORV-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-triethoxy-2-propan-2-ylsilinane?
The IUPAC name of 1,1,2-triethoxy-2-propan-2-ylsilinane (CID 174660505) is 1,1,2-triethoxy-2-propan-2-ylsilinane.
What is the SMILES notation for 1,1,2-triethoxy-2-propan-2-ylsilinane?
The canonical SMILES for 1,1,2-triethoxy-2-propan-2-ylsilinane is CCOC1(C(C)C)CCCC[Si]1(OCC)OCC.
What is the InChIKey of 1,1,2-triethoxy-2-propan-2-ylsilinane?
The InChIKey is YVHKLZCTKVZORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-6-15-14(13(4)5)11-9-10-12-18(14,16-7-2)17-8-3/h13H,6-12H2,1-5H3.
What are the key properties of 1,1,2-triethoxy-2-propan-2-ylsilinane?
1,1,2-triethoxy-2-propan-2-ylsilinane has a molecular weight of 274.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triethoxy-2-propan-2-ylsilinane is sourced from PubChem (CID 174660505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).