cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane

C27H39F7OSi2 — CID 141045162

IUPACcyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane
SMILESCC[Si](CC)(CC)CCC[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2(F)F)(C(C)C)C1CCCCC1
InChIInChI=1S/C27H39F7OSi2/c1-6-36(7-2,8-3)15-12-16-37(17(4)5,18-13-10-9-11-14-18)35-25-21(28)19-20(23(30)24(25)31)27(33,34)26(32)22(19)29/h17-18H,6-16H2,1-5H3
InChIKeyJWAWXOFTPBZRKI-UHFFFAOYSA-N
MW568.77 g/mol
LogP10.78
Rot. Bonds11

About cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane

cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane (PubChem CID 141045162) has the molecular formula C27H39F7OSi2 and a molecular weight of 568.77 g/mol. Its IUPAC name is cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane.

Molecular Properties

Compound Namecyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane
PubChem CID141045162
Molecular FormulaC27H39F7OSi2
Molecular Weight568.77 g/mol
Exact Mass568.24
IUPAC Namecyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane
SMILESCC[Si](CC)(CC)CCC[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2(F)F)(C(C)C)C1CCCCC1
InChIInChI=1S/C27H39F7OSi2/c1-6-36(7-2,8-3)15-12-16-37(17(4)5,18-13-10-9-11-14-18)35-25-21(28)19-20(23(30)24(25)31)27(33,34)26(32)22(19)29/h17-18H,6-16H2,1-5H3
InChIKeyJWAWXOFTPBZRKI-UHFFFAOYSA-N
XLogP10.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.77
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane?
The IUPAC name of cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane (CID 141045162) is cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane.
What is the SMILES notation for cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane?
The canonical SMILES for cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane is CC[Si](CC)(CC)CCC[Si](Oc1c(F)c(F)c2c(c1F)C(F)=C(F)C2(F)F)(C(C)C)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane?
The InChIKey is JWAWXOFTPBZRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39F7OSi2/c1-6-36(7-2,8-3)15-12-16-37(17(4)5,18-13-10-9-11-14-18)35-25-21(28)19-20(23(30)24(25)31)27(33,34)26(32)22(19)29/h17-18H,6-16H2,1-5H3.
What are the key properties of cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane?
cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane has a molecular weight of 568.77 g/mol, XLogP of 10.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1,1,2,3,4,6,7-heptafluoroinden-5-yl)oxy-propan-2-yl-(3-triethylsilylpropyl)silane is sourced from PubChem (CID 141045162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).