(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane

C27H45FOSi — CID 173235446

IUPAC(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane
SMILESCCCCCCCCC[Si](CCCCCC)(Oc1ccc2c(c1)C=CC2F)C(C)C
InChIInChI=1S/C27H45FOSi/c1-5-7-9-11-12-13-15-21-30(23(3)4,20-14-10-8-6-2)29-25-17-18-26-24(22-25)16-19-27(26)28/h16-19,22-23,27H,5-15,20-21H2,1-4H3
InChIKeyXFHTUYDMZSFJSH-UHFFFAOYSA-N
MW432.74 g/mol
LogP9.79
Rot. Bonds16

About (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane

(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane (PubChem CID 173235446) has the molecular formula C27H45FOSi and a molecular weight of 432.74 g/mol. Its IUPAC name is (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane.

Molecular Properties

Compound Name(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane
PubChem CID173235446
Molecular FormulaC27H45FOSi
Molecular Weight432.74 g/mol
Exact Mass432.32
IUPAC Name(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane
SMILESCCCCCCCCC[Si](CCCCCC)(Oc1ccc2c(c1)C=CC2F)C(C)C
InChIInChI=1S/C27H45FOSi/c1-5-7-9-11-12-13-15-21-30(23(3)4,20-14-10-8-6-2)29-25-17-18-26-24(22-25)16-19-27(26)28/h16-19,22-23,27H,5-15,20-21H2,1-4H3
InChIKeyXFHTUYDMZSFJSH-UHFFFAOYSA-N
XLogP9.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 59.79
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'}

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane?
The IUPAC name of (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane (CID 173235446) is (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane.
What is the SMILES notation for (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane?
The canonical SMILES for (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane is CCCCCCCCC[Si](CCCCCC)(Oc1ccc2c(c1)C=CC2F)C(C)C.
What is the InChIKey of (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane?
The InChIKey is XFHTUYDMZSFJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45FOSi/c1-5-7-9-11-12-13-15-21-30(23(3)4,20-14-10-8-6-2)29-25-17-18-26-24(22-25)16-19-27(26)28/h16-19,22-23,27H,5-15,20-21H2,1-4H3.
What are the key properties of (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane?
(1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane has a molecular weight of 432.74 g/mol, XLogP of 9.79, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1H-inden-5-yl)oxy-hexyl-nonyl-propan-2-ylsilane is sourced from PubChem (CID 173235446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).