heptan-4-yloxy(dimethoxy)silane

C9H22O3Si — CID 154083848

IUPACheptan-4-yloxy(dimethoxy)silane
SMILESCCCC(CCC)O[SiH](OC)OC
InChIInChI=1S/C9H22O3Si/c1-5-7-9(8-6-2)12-13(10-3)11-4/h9,13H,5-8H2,1-4H3
InChIKeyGNUALYPKLFQNJG-UHFFFAOYSA-N
MW206.36 g/mol
LogP1.98
Rot. Bonds8

About heptan-4-yloxy(dimethoxy)silane

heptan-4-yloxy(dimethoxy)silane (PubChem CID 154083848) has the molecular formula C9H22O3Si and a molecular weight of 206.36 g/mol. Its IUPAC name is heptan-4-yloxy(dimethoxy)silane.

Molecular Properties

Compound Nameheptan-4-yloxy(dimethoxy)silane
PubChem CID154083848
Molecular FormulaC9H22O3Si
Molecular Weight206.36 g/mol
Exact Mass206.13
IUPAC Nameheptan-4-yloxy(dimethoxy)silane
SMILESCCCC(CCC)O[SiH](OC)OC
InChIInChI=1S/C9H22O3Si/c1-5-7-9(8-6-2)12-13(10-3)11-4/h9,13H,5-8H2,1-4H3
InChIKeyGNUALYPKLFQNJG-UHFFFAOYSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 51.98
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 heptan-4-yloxy(dimethoxy)silane?
The IUPAC name of heptan-4-yloxy(dimethoxy)silane (CID 154083848) is heptan-4-yloxy(dimethoxy)silane.
What is the SMILES notation for heptan-4-yloxy(dimethoxy)silane?
The canonical SMILES for heptan-4-yloxy(dimethoxy)silane is CCCC(CCC)O[SiH](OC)OC.
What is the InChIKey of heptan-4-yloxy(dimethoxy)silane?
The InChIKey is GNUALYPKLFQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si/c1-5-7-9(8-6-2)12-13(10-3)11-4/h9,13H,5-8H2,1-4H3.
What are the key properties of heptan-4-yloxy(dimethoxy)silane?
heptan-4-yloxy(dimethoxy)silane has a molecular weight of 206.36 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy(dimethoxy)silane is sourced from PubChem (CID 154083848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).