di(heptan-4-yloxy)-oxosilane

C14H30O3Si — CID 87451998

IUPACdi(heptan-4-yloxy)-oxosilane
SMILESCCCC(CCC)O[Si](=O)OC(CCC)CCC
InChIInChI=1S/C14H30O3Si/c1-5-9-13(10-6-2)16-18(15)17-14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3
InChIKeyXQBGTBSDMDWZMB-UHFFFAOYSA-N
MW274.48 g/mol
LogP4.37
Rot. Bonds12

About di(heptan-4-yloxy)-oxosilane

di(heptan-4-yloxy)-oxosilane (PubChem CID 87451998) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is di(heptan-4-yloxy)-oxosilane.

Molecular Properties

Compound Namedi(heptan-4-yloxy)-oxosilane
PubChem CID87451998
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Namedi(heptan-4-yloxy)-oxosilane
SMILESCCCC(CCC)O[Si](=O)OC(CCC)CCC
InChIInChI=1S/C14H30O3Si/c1-5-9-13(10-6-2)16-18(15)17-14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3
InChIKeyXQBGTBSDMDWZMB-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.37
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 di(heptan-4-yloxy)-oxosilane?
The IUPAC name of di(heptan-4-yloxy)-oxosilane (CID 87451998) is di(heptan-4-yloxy)-oxosilane.
What is the SMILES notation for di(heptan-4-yloxy)-oxosilane?
The canonical SMILES for di(heptan-4-yloxy)-oxosilane is CCCC(CCC)O[Si](=O)OC(CCC)CCC.
What is the InChIKey of di(heptan-4-yloxy)-oxosilane?
The InChIKey is XQBGTBSDMDWZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-5-9-13(10-6-2)16-18(15)17-14(11-7-3)12-8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of di(heptan-4-yloxy)-oxosilane?
di(heptan-4-yloxy)-oxosilane has a molecular weight of 274.48 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(heptan-4-yloxy)-oxosilane is sourced from PubChem (CID 87451998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).