bis(3,7-dimethyloct-6-enoxy)-dimethylsilane

C22H44O2Si — CID 91697684

IUPACbis(3,7-dimethyloct-6-enoxy)-dimethylsilane
SMILESCC(C)=CCCC(C)CCO[Si](C)(C)OCCC(C)CCC=C(C)C
InChIInChI=1S/C22H44O2Si/c1-19(2)11-9-13-21(5)15-17-23-25(7,8)24-18-16-22(6)14-10-12-20(3)4/h11-12,21-22H,9-10,13-18H2,1-8H3
InChIKeyASOBFERBWIUFFN-UHFFFAOYSA-N
MW368.68 g/mol
LogP7.27
Rot. Bonds14

About bis(3,7-dimethyloct-6-enoxy)-dimethylsilane

bis(3,7-dimethyloct-6-enoxy)-dimethylsilane (PubChem CID 91697684) has the molecular formula C22H44O2Si and a molecular weight of 368.68 g/mol. Its IUPAC name is bis(3,7-dimethyloct-6-enoxy)-dimethylsilane.

Molecular Properties

Compound Namebis(3,7-dimethyloct-6-enoxy)-dimethylsilane
PubChem CID91697684
Molecular FormulaC22H44O2Si
Molecular Weight368.68 g/mol
Exact Mass368.31
IUPAC Namebis(3,7-dimethyloct-6-enoxy)-dimethylsilane
SMILESCC(C)=CCCC(C)CCO[Si](C)(C)OCCC(C)CCC=C(C)C
InChIInChI=1S/C22H44O2Si/c1-19(2)11-9-13-21(5)15-17-23-25(7,8)24-18-16-22(6)14-10-12-20(3)4/h11-12,21-22H,9-10,13-18H2,1-8H3
InChIKeyASOBFERBWIUFFN-UHFFFAOYSA-N
XLogP7.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(3,7-dimethyloct-6-enoxy)-dimethylsilane?
The IUPAC name of bis(3,7-dimethyloct-6-enoxy)-dimethylsilane (CID 91697684) is bis(3,7-dimethyloct-6-enoxy)-dimethylsilane.
What is the SMILES notation for bis(3,7-dimethyloct-6-enoxy)-dimethylsilane?
The canonical SMILES for bis(3,7-dimethyloct-6-enoxy)-dimethylsilane is CC(C)=CCCC(C)CCO[Si](C)(C)OCCC(C)CCC=C(C)C.
What is the InChIKey of bis(3,7-dimethyloct-6-enoxy)-dimethylsilane?
The InChIKey is ASOBFERBWIUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44O2Si/c1-19(2)11-9-13-21(5)15-17-23-25(7,8)24-18-16-22(6)14-10-12-20(3)4/h11-12,21-22H,9-10,13-18H2,1-8H3.
What are the key properties of bis(3,7-dimethyloct-6-enoxy)-dimethylsilane?
bis(3,7-dimethyloct-6-enoxy)-dimethylsilane has a molecular weight of 368.68 g/mol, XLogP of 7.27, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,7-dimethyloct-6-enoxy)-dimethylsilane is sourced from PubChem (CID 91697684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).