1,1,2-trimethoxy-3-methyl-2-propylsilinane

C12H26O3Si — CID 174758054

IUPAC1,1,2-trimethoxy-3-methyl-2-propylsilinane
SMILESCCCC1(OC)C(C)CCC[Si]1(OC)OC
InChIInChI=1S/C12H26O3Si/c1-6-9-12(13-3)11(2)8-7-10-16(12,14-4)15-5/h11H,6-10H2,1-5H3
InChIKeyKPHLCWOZWFQKTF-UHFFFAOYSA-N
MW246.42 g/mol
LogP2.88
Rot. Bonds5

About 1,1,2-trimethoxy-3-methyl-2-propylsilinane

1,1,2-trimethoxy-3-methyl-2-propylsilinane (PubChem CID 174758054) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 1,1,2-trimethoxy-3-methyl-2-propylsilinane.

Molecular Properties

Compound Name1,1,2-trimethoxy-3-methyl-2-propylsilinane
PubChem CID174758054
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name1,1,2-trimethoxy-3-methyl-2-propylsilinane
SMILESCCCC1(OC)C(C)CCC[Si]1(OC)OC
InChIInChI=1S/C12H26O3Si/c1-6-9-12(13-3)11(2)8-7-10-16(12,14-4)15-5/h11H,6-10H2,1-5H3
InChIKeyKPHLCWOZWFQKTF-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.88
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-trimethoxy-3-methyl-2-propylsilinane?
The IUPAC name of 1,1,2-trimethoxy-3-methyl-2-propylsilinane (CID 174758054) is 1,1,2-trimethoxy-3-methyl-2-propylsilinane.
What is the SMILES notation for 1,1,2-trimethoxy-3-methyl-2-propylsilinane?
The canonical SMILES for 1,1,2-trimethoxy-3-methyl-2-propylsilinane is CCCC1(OC)C(C)CCC[Si]1(OC)OC.
What is the InChIKey of 1,1,2-trimethoxy-3-methyl-2-propylsilinane?
The InChIKey is KPHLCWOZWFQKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-9-12(13-3)11(2)8-7-10-16(12,14-4)15-5/h11H,6-10H2,1-5H3.
What are the key properties of 1,1,2-trimethoxy-3-methyl-2-propylsilinane?
1,1,2-trimethoxy-3-methyl-2-propylsilinane has a molecular weight of 246.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethoxy-3-methyl-2-propylsilinane is sourced from PubChem (CID 174758054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).