2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane

C35H53F19OSi — CID 175132935

IUPAC2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane
SMILESCCCCCCCCCCCCCCCCCCC1(C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C35H53F19OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(23-21-24-56(3,4)55-26)25(2)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)34(50,51)35(52,53)54/h25H,5-24H2,1-4H3
InChIKeyJHQYQYYGZXYFTH-UHFFFAOYSA-N
MW878.86 g/mol
LogP15.67
Rot. Bonds26

About 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane

2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane (PubChem CID 175132935) has the molecular formula C35H53F19OSi and a molecular weight of 878.86 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane.

Molecular Properties

Compound Name2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane
PubChem CID175132935
Molecular FormulaC35H53F19OSi
Molecular Weight878.86 g/mol
Exact Mass878.36
IUPAC Name2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane
SMILESCCCCCCCCCCCCCCCCCCC1(C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C35H53F19OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(23-21-24-56(3,4)55-26)25(2)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)34(50,51)35(52,53)54/h25H,5-24H2,1-4H3
InChIKeyJHQYQYYGZXYFTH-UHFFFAOYSA-N
XLogP15.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.86
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane with MolForge

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Related Compounds

6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane
CID 174913830
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
CID 149252552
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
2-hexyl-2-propan-2-yloxirane
CID 170634762
7-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctadecane
CID 151414921
6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
CID 153324190
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluorodecane
CID 175798759
trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane
CID 175360578
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1,1-dioctylcyclopentane
CID 54295272

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane?
The IUPAC name of 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane (CID 175132935) is 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane.
What is the SMILES notation for 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane?
The canonical SMILES for 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane is CCCCCCCCCCCCCCCCCCC1(C(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1.
What is the InChIKey of 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane?
The InChIKey is JHQYQYYGZXYFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53F19OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(23-21-24-56(3,4)55-26)25(2)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)34(50,51)35(52,53)54/h25H,5-24H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane?
2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane has a molecular weight of 878.86 g/mol, XLogP of 15.67, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane is sourced from PubChem (CID 175132935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).