[1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane

C15H37FO6Si3 — CID 140614934

IUPAC[1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane
SMILESCO[Si](C)(CCC(CC(CF)[Si](C)(OC)OC)[Si](C)(OC)OC)OC
InChIInChI=1S/C15H37FO6Si3/c1-17-23(7,18-2)11-10-14(24(8,19-3)20-4)12-15(13-16)25(9,21-5)22-6/h14-15H,10-13H2,1-9H3
InChIKeyKEBODOFPYJNEKI-UHFFFAOYSA-N
MW416.71 g/mol
LogP3.57
Rot. Bonds14

About [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane

[1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane (PubChem CID 140614934) has the molecular formula C15H37FO6Si3 and a molecular weight of 416.71 g/mol. Its IUPAC name is [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane.

Molecular Properties

Compound Name[1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane
PubChem CID140614934
Molecular FormulaC15H37FO6Si3
Molecular Weight416.71 g/mol
Exact Mass416.19
IUPAC Name[1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane
SMILESCO[Si](C)(CCC(CC(CF)[Si](C)(OC)OC)[Si](C)(OC)OC)OC
InChIInChI=1S/C15H37FO6Si3/c1-17-23(7,18-2)11-10-14(24(8,19-3)20-4)12-15(13-16)25(9,21-5)22-6/h14-15H,10-13H2,1-9H3
InChIKeyKEBODOFPYJNEKI-UHFFFAOYSA-N
XLogP3.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.71
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane?
The IUPAC name of [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane (CID 140614934) is [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane.
What is the SMILES notation for [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane?
The canonical SMILES for [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane is CO[Si](C)(CCC(CC(CF)[Si](C)(OC)OC)[Si](C)(OC)OC)OC.
What is the InChIKey of [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane?
The InChIKey is KEBODOFPYJNEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H37FO6Si3/c1-17-23(7,18-2)11-10-14(24(8,19-3)20-4)12-15(13-16)25(9,21-5)22-6/h14-15H,10-13H2,1-9H3.
What are the key properties of [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane?
[1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane has a molecular weight of 416.71 g/mol, XLogP of 3.57, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-bis[dimethoxy(methyl)silyl]-6-fluorohexan-3-yl]-dimethoxy-methylsilane is sourced from PubChem (CID 140614934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).