(1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane

C30H63FO2Si — CID 139815575

IUPAC(1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCC)CC(F)[Si](C)(OC)OC
InChIInChI=1S/C30H63FO2Si/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-29(26-24-22-11-9-7-2)28-30(31)34(5,32-3)33-4/h29-30H,6-28H2,1-5H3
InChIKeyUKNOIZXSRKXDKA-UHFFFAOYSA-N
MW502.92 g/mol
LogP10.86
Rot. Bonds27

About (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane

(1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane (PubChem CID 139815575) has the molecular formula C30H63FO2Si and a molecular weight of 502.92 g/mol. Its IUPAC name is (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane.

Molecular Properties

Compound Name(1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane
PubChem CID139815575
Molecular FormulaC30H63FO2Si
Molecular Weight502.92 g/mol
Exact Mass502.46
IUPAC Name(1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane
SMILESCCCCCCCCCCCCCCCCCC(CCCCCCC)CC(F)[Si](C)(OC)OC
InChIInChI=1S/C30H63FO2Si/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-29(26-24-22-11-9-7-2)28-30(31)34(5,32-3)33-4/h29-30H,6-28H2,1-5H3
InChIKeyUKNOIZXSRKXDKA-UHFFFAOYSA-N
XLogP10.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 510.86
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 (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane?
The IUPAC name of (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane (CID 139815575) is (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane.
What is the SMILES notation for (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane?
The canonical SMILES for (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane is CCCCCCCCCCCCCCCCCC(CCCCCCC)CC(F)[Si](C)(OC)OC.
What is the InChIKey of (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane?
The InChIKey is UKNOIZXSRKXDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H63FO2Si/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-27-29(26-24-22-11-9-7-2)28-30(31)34(5,32-3)33-4/h29-30H,6-28H2,1-5H3.
What are the key properties of (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane?
(1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane has a molecular weight of 502.92 g/mol, XLogP of 10.86, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-3-heptylicosyl)-dimethoxy-methylsilane is sourced from PubChem (CID 139815575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).