triethoxy-(1-fluoro-3-pentylhexadecyl)silane

C27H57FO3Si — CID 140577613

IUPACtriethoxy-(1-fluoro-3-pentylhexadecyl)silane
SMILESCCCCCCCCCCCCCC(CCCCC)CC(F)[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-6-11-13-14-15-16-17-18-19-20-22-24-26(23-21-12-7-2)25-27(28)32(29-8-3,30-9-4)31-10-5/h26-27H,6-25H2,1-5H3
InChIKeyAWPGUYRHPNPNAO-UHFFFAOYSA-N
MW476.83 g/mol
LogP9.20
Rot. Bonds25

About triethoxy-(1-fluoro-3-pentylhexadecyl)silane

triethoxy-(1-fluoro-3-pentylhexadecyl)silane (PubChem CID 140577613) has the molecular formula C27H57FO3Si and a molecular weight of 476.83 g/mol. Its IUPAC name is triethoxy-(1-fluoro-3-pentylhexadecyl)silane.

Molecular Properties

Compound Nametriethoxy-(1-fluoro-3-pentylhexadecyl)silane
PubChem CID140577613
Molecular FormulaC27H57FO3Si
Molecular Weight476.83 g/mol
Exact Mass476.41
IUPAC Nametriethoxy-(1-fluoro-3-pentylhexadecyl)silane
SMILESCCCCCCCCCCCCCC(CCCCC)CC(F)[Si](OCC)(OCC)OCC
InChIInChI=1S/C27H57FO3Si/c1-6-11-13-14-15-16-17-18-19-20-22-24-26(23-21-12-7-2)25-27(28)32(29-8-3,30-9-4)31-10-5/h26-27H,6-25H2,1-5H3
InChIKeyAWPGUYRHPNPNAO-UHFFFAOYSA-N
XLogP9.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.83
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy-(1-fluoro-3-pentylhexadecyl)silane?
The IUPAC name of triethoxy-(1-fluoro-3-pentylhexadecyl)silane (CID 140577613) is triethoxy-(1-fluoro-3-pentylhexadecyl)silane.
What is the SMILES notation for triethoxy-(1-fluoro-3-pentylhexadecyl)silane?
The canonical SMILES for triethoxy-(1-fluoro-3-pentylhexadecyl)silane is CCCCCCCCCCCCCC(CCCCC)CC(F)[Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy-(1-fluoro-3-pentylhexadecyl)silane?
The InChIKey is AWPGUYRHPNPNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H57FO3Si/c1-6-11-13-14-15-16-17-18-19-20-22-24-26(23-21-12-7-2)25-27(28)32(29-8-3,30-9-4)31-10-5/h26-27H,6-25H2,1-5H3.
What are the key properties of triethoxy-(1-fluoro-3-pentylhexadecyl)silane?
triethoxy-(1-fluoro-3-pentylhexadecyl)silane has a molecular weight of 476.83 g/mol, XLogP of 9.20, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-(1-fluoro-3-pentylhexadecyl)silane is sourced from PubChem (CID 140577613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).