bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane

C19H32F2OSi — CID 131747137

IUPACbis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CC=C(F)CC1
InChIInChI=1S/C19H32F2OSi/c1-4-23(5-2,6-3)22-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h11,13,15-16,19H,4-10,12,14H2,1-3H3
InChIKeyFZTQRVYZDMJZSS-UHFFFAOYSA-N
MW342.55 g/mol
LogP6.68
Rot. Bonds7

About bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane

bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane (PubChem CID 131747137) has the molecular formula C19H32F2OSi and a molecular weight of 342.55 g/mol. Its IUPAC name is bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane.

Molecular Properties

Compound Namebis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane
PubChem CID131747137
Molecular FormulaC19H32F2OSi
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Namebis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CC=C(F)CC1
InChIInChI=1S/C19H32F2OSi/c1-4-23(5-2,6-3)22-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h11,13,15-16,19H,4-10,12,14H2,1-3H3
InChIKeyFZTQRVYZDMJZSS-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.55
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
The IUPAC name of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane (CID 131747137) is bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane.
What is the SMILES notation for bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
The canonical SMILES for bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane is CC[Si](CC)(CC)OC(C1CC=C(F)CC1)C1CC=C(F)CC1.
What is the InChIKey of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
The InChIKey is FZTQRVYZDMJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2OSi/c1-4-23(5-2,6-3)22-19(15-7-11-17(20)12-8-15)16-9-13-18(21)14-10-16/h11,13,15-16,19H,4-10,12,14H2,1-3H3.
What are the key properties of bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane?
bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane has a molecular weight of 342.55 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorocyclohex-3-en-1-yl)methoxy-triethylsilane is sourced from PubChem (CID 131747137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).