1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane

C22H45FO3Si — CID 175115935

IUPAC1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
SMILESCCCCCCCCCCCCCC(CC=CF)O[Si](CCC)(OC)OC
InChIInChI=1S/C22H45FO3Si/c1-5-7-8-9-10-11-12-13-14-15-16-18-22(19-17-20-23)26-27(24-3,25-4)21-6-2/h17,20,22H,5-16,18-19,21H2,1-4H3
InChIKeyMBOKYVGFKXZHAD-UHFFFAOYSA-N
MW404.68 g/mol
LogP7.59
Rot. Bonds20

About 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane

1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane (PubChem CID 175115935) has the molecular formula C22H45FO3Si and a molecular weight of 404.68 g/mol. Its IUPAC name is 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane.

Molecular Properties

Compound Name1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
PubChem CID175115935
Molecular FormulaC22H45FO3Si
Molecular Weight404.68 g/mol
Exact Mass404.31
IUPAC Name1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane
SMILESCCCCCCCCCCCCCC(CC=CF)O[Si](CCC)(OC)OC
InChIInChI=1S/C22H45FO3Si/c1-5-7-8-9-10-11-12-13-14-15-16-18-22(19-17-20-23)26-27(24-3,25-4)21-6-2/h17,20,22H,5-16,18-19,21H2,1-4H3
InChIKeyMBOKYVGFKXZHAD-UHFFFAOYSA-N
XLogP7.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 57.59
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 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane?
The IUPAC name of 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane (CID 175115935) is 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane.
What is the SMILES notation for 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane?
The canonical SMILES for 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane is CCCCCCCCCCCCCC(CC=CF)O[Si](CCC)(OC)OC.
What is the InChIKey of 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane?
The InChIKey is MBOKYVGFKXZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45FO3Si/c1-5-7-8-9-10-11-12-13-14-15-16-18-22(19-17-20-23)26-27(24-3,25-4)21-6-2/h17,20,22H,5-16,18-19,21H2,1-4H3.
What are the key properties of 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane?
1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane has a molecular weight of 404.68 g/mol, XLogP of 7.59, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroheptadec-1-en-4-yloxy-dimethoxy-propylsilane is sourced from PubChem (CID 175115935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).