2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane

C14H32O2Si — CID 139910259

IUPAC2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane
SMILESCCC(C)C(CC(C)C)O[Si](CC)(CC)OC
InChIInChI=1S/C14H32O2Si/c1-8-13(6)14(11-12(4)5)16-17(9-2,10-3)15-7/h12-14H,8-11H2,1-7H3
InChIKeyDLGCIAWJYAAYDO-UHFFFAOYSA-N
MW260.49 g/mol
LogP4.59
Rot. Bonds9

About 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane

2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane (PubChem CID 139910259) has the molecular formula C14H32O2Si and a molecular weight of 260.49 g/mol. Its IUPAC name is 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane.

Molecular Properties

Compound Name2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane
PubChem CID139910259
Molecular FormulaC14H32O2Si
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Name2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane
SMILESCCC(C)C(CC(C)C)O[Si](CC)(CC)OC
InChIInChI=1S/C14H32O2Si/c1-8-13(6)14(11-12(4)5)16-17(9-2,10-3)15-7/h12-14H,8-11H2,1-7H3
InChIKeyDLGCIAWJYAAYDO-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane?
The IUPAC name of 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane (CID 139910259) is 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane.
What is the SMILES notation for 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane?
The canonical SMILES for 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane is CCC(C)C(CC(C)C)O[Si](CC)(CC)OC.
What is the InChIKey of 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane?
The InChIKey is DLGCIAWJYAAYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-8-13(6)14(11-12(4)5)16-17(9-2,10-3)15-7/h12-14H,8-11H2,1-7H3.
What are the key properties of 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane?
2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane has a molecular weight of 260.49 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylheptan-4-yloxy-diethyl-methoxysilane is sourced from PubChem (CID 139910259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).