2-ethylhexoxy-dimethyl-octoxysilane

C18H40O2Si — CID 91741662

IUPAC2-ethylhexoxy-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C18H40O2Si/c1-6-9-11-12-13-14-16-19-21(4,5)20-17-18(8-3)15-10-7-2/h18H,6-17H2,1-5H3
InChIKeyRVFCPMCPOWZBHD-UHFFFAOYSA-N
MW316.60 g/mol
LogP6.30
Rot. Bonds15

About 2-ethylhexoxy-dimethyl-octoxysilane

2-ethylhexoxy-dimethyl-octoxysilane (PubChem CID 91741662) has the molecular formula C18H40O2Si and a molecular weight of 316.60 g/mol. Its IUPAC name is 2-ethylhexoxy-dimethyl-octoxysilane.

Molecular Properties

Compound Name2-ethylhexoxy-dimethyl-octoxysilane
PubChem CID91741662
Molecular FormulaC18H40O2Si
Molecular Weight316.60 g/mol
Exact Mass316.28
IUPAC Name2-ethylhexoxy-dimethyl-octoxysilane
SMILESCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C18H40O2Si/c1-6-9-11-12-13-14-16-19-21(4,5)20-17-18(8-3)15-10-7-2/h18H,6-17H2,1-5H3
InChIKeyRVFCPMCPOWZBHD-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.60
LogP ≤ 56.30
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-octoxysilane?
The IUPAC name of 2-ethylhexoxy-dimethyl-octoxysilane (CID 91741662) is 2-ethylhexoxy-dimethyl-octoxysilane.
What is the SMILES notation for 2-ethylhexoxy-dimethyl-octoxysilane?
The canonical SMILES for 2-ethylhexoxy-dimethyl-octoxysilane is CCCCCCCCO[Si](C)(C)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-dimethyl-octoxysilane?
The InChIKey is RVFCPMCPOWZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O2Si/c1-6-9-11-12-13-14-16-19-21(4,5)20-17-18(8-3)15-10-7-2/h18H,6-17H2,1-5H3.
What are the key properties of 2-ethylhexoxy-dimethyl-octoxysilane?
2-ethylhexoxy-dimethyl-octoxysilane has a molecular weight of 316.60 g/mol, XLogP of 6.30, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-dimethyl-octoxysilane is sourced from PubChem (CID 91741662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).