(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane

C34H53F7OSi2 — CID 141045207

IUPAC(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane
SMILESCCCCCC[Si](CCCCCC[Si](CCC)(CCC)CCC)(Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)C(C)C
InChIInChI=1S/C34H53F7OSi2/c1-7-11-12-16-22-44(24(5)6,23-17-14-13-15-21-43(18-8-2,19-9-3)20-10-4)42-34-30(38)26-25(29(37)33(34)41)27(35)31(39)32(40)28(26)36/h24H,7-23H2,1-6H3
InChIKeyRSIVYSIRTWGSLI-UHFFFAOYSA-N
MW666.96 g/mol
LogP13.37
Rot. Bonds21

About (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane

(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane (PubChem CID 141045207) has the molecular formula C34H53F7OSi2 and a molecular weight of 666.96 g/mol. Its IUPAC name is (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane.

Molecular Properties

Compound Name(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane
PubChem CID141045207
Molecular FormulaC34H53F7OSi2
Molecular Weight666.96 g/mol
Exact Mass666.35
IUPAC Name(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane
SMILESCCCCCC[Si](CCCCCC[Si](CCC)(CCC)CCC)(Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)C(C)C
InChIInChI=1S/C34H53F7OSi2/c1-7-11-12-16-22-44(24(5)6,23-17-14-13-15-21-43(18-8-2,19-9-3)20-10-4)42-34-30(38)26-25(29(37)33(34)41)27(35)31(39)32(40)28(26)36/h24H,7-23H2,1-6H3
InChIKeyRSIVYSIRTWGSLI-UHFFFAOYSA-N
XLogP13.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.96
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane?
The IUPAC name of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane (CID 141045207) is (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane.
What is the SMILES notation for (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane?
The canonical SMILES for (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane is CCCCCC[Si](CCCCCC[Si](CCC)(CCC)CCC)(Oc1c(F)c(F)c2c(F)c(F)c(F)c(F)c2c1F)C(C)C.
What is the InChIKey of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane?
The InChIKey is RSIVYSIRTWGSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53F7OSi2/c1-7-11-12-16-22-44(24(5)6,23-17-14-13-15-21-43(18-8-2,19-9-3)20-10-4)42-34-30(38)26-25(29(37)33(34)41)27(35)31(39)32(40)28(26)36/h24H,7-23H2,1-6H3.
What are the key properties of (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane?
(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane has a molecular weight of 666.96 g/mol, XLogP of 13.37, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)oxy-hexyl-propan-2-yl-(6-tripropylsilylhexyl)silane is sourced from PubChem (CID 141045207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).