2-ethylhexoxy-dimethyl-pentadecoxysilane

C25H54O2Si — CID 91744742

IUPAC2-ethylhexoxy-dimethyl-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C25H54O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-23-26-28(4,5)27-24-25(8-3)22-10-7-2/h25H,6-24H2,1-5H3
InChIKeyUWXGYIYLGARPAS-UHFFFAOYSA-N
MW414.79 g/mol
LogP9.03
Rot. Bonds22

About 2-ethylhexoxy-dimethyl-pentadecoxysilane

2-ethylhexoxy-dimethyl-pentadecoxysilane (PubChem CID 91744742) has the molecular formula C25H54O2Si and a molecular weight of 414.79 g/mol. Its IUPAC name is 2-ethylhexoxy-dimethyl-pentadecoxysilane.

Molecular Properties

Compound Name2-ethylhexoxy-dimethyl-pentadecoxysilane
PubChem CID91744742
Molecular FormulaC25H54O2Si
Molecular Weight414.79 g/mol
Exact Mass414.39
IUPAC Name2-ethylhexoxy-dimethyl-pentadecoxysilane
SMILESCCCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C25H54O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-23-26-28(4,5)27-24-25(8-3)22-10-7-2/h25H,6-24H2,1-5H3
InChIKeyUWXGYIYLGARPAS-UHFFFAOYSA-N
XLogP9.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.79
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-dimethyl-pentadecoxysilane?
The IUPAC name of 2-ethylhexoxy-dimethyl-pentadecoxysilane (CID 91744742) is 2-ethylhexoxy-dimethyl-pentadecoxysilane.
What is the SMILES notation for 2-ethylhexoxy-dimethyl-pentadecoxysilane?
The canonical SMILES for 2-ethylhexoxy-dimethyl-pentadecoxysilane is CCCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-dimethyl-pentadecoxysilane?
The InChIKey is UWXGYIYLGARPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-23-26-28(4,5)27-24-25(8-3)22-10-7-2/h25H,6-24H2,1-5H3.
What are the key properties of 2-ethylhexoxy-dimethyl-pentadecoxysilane?
2-ethylhexoxy-dimethyl-pentadecoxysilane has a molecular weight of 414.79 g/mol, XLogP of 9.03, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-dimethyl-pentadecoxysilane is sourced from PubChem (CID 91744742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).