2-ethylhexoxy-hexadecoxy-dimethylsilane

C26H56O2Si — CID 91745003

IUPAC2-ethylhexoxy-hexadecoxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C26H56O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-24-27-29(4,5)28-25-26(8-3)23-10-7-2/h26H,6-25H2,1-5H3
InChIKeyDKIRZHSLAKVSQT-UHFFFAOYSA-N
MW428.82 g/mol
LogP9.42
Rot. Bonds23

About 2-ethylhexoxy-hexadecoxy-dimethylsilane

2-ethylhexoxy-hexadecoxy-dimethylsilane (PubChem CID 91745003) has the molecular formula C26H56O2Si and a molecular weight of 428.82 g/mol. Its IUPAC name is 2-ethylhexoxy-hexadecoxy-dimethylsilane.

Molecular Properties

Compound Name2-ethylhexoxy-hexadecoxy-dimethylsilane
PubChem CID91745003
Molecular FormulaC26H56O2Si
Molecular Weight428.82 g/mol
Exact Mass428.40
IUPAC Name2-ethylhexoxy-hexadecoxy-dimethylsilane
SMILESCCCCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC
InChIInChI=1S/C26H56O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-24-27-29(4,5)28-25-26(8-3)23-10-7-2/h26H,6-25H2,1-5H3
InChIKeyDKIRZHSLAKVSQT-UHFFFAOYSA-N
XLogP9.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 59.42
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-hexadecoxy-dimethylsilane?
The IUPAC name of 2-ethylhexoxy-hexadecoxy-dimethylsilane (CID 91745003) is 2-ethylhexoxy-hexadecoxy-dimethylsilane.
What is the SMILES notation for 2-ethylhexoxy-hexadecoxy-dimethylsilane?
The canonical SMILES for 2-ethylhexoxy-hexadecoxy-dimethylsilane is CCCCCCCCCCCCCCCCO[Si](C)(C)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexoxy-hexadecoxy-dimethylsilane?
The InChIKey is DKIRZHSLAKVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56O2Si/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-24-27-29(4,5)28-25-26(8-3)23-10-7-2/h26H,6-25H2,1-5H3.
What are the key properties of 2-ethylhexoxy-hexadecoxy-dimethylsilane?
2-ethylhexoxy-hexadecoxy-dimethylsilane has a molecular weight of 428.82 g/mol, XLogP of 9.42, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-hexadecoxy-dimethylsilane is sourced from PubChem (CID 91745003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).