fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane

C18H33AgFIO2 — CID 160758216

IUPACfluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane
SMILESC=C1OC(C)CC(C)C1C.CC1CC(C)C(C)C(CI)O1.F[Ag]
InChIInChI=1S/C9H17IO.C9H16O.Ag.FH/c1-6-4-7(2)11-9(5-10)8(6)3;1-6-5-7(2)10-9(4)8(6)3;;/h6-9H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;;1H/q;;+1;/p-1
InChIKeyRXSCMRQMOBMFSW-UHFFFAOYSA-M
MW535.23 g/mol
LogP5.87
Rot. Bonds1

About fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane

fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane (PubChem CID 160758216) has the molecular formula C18H33AgFIO2 and a molecular weight of 535.23 g/mol. Its IUPAC name is fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane.

Molecular Properties

Compound Namefluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane
PubChem CID160758216
Molecular FormulaC18H33AgFIO2
Molecular Weight535.23 g/mol
Exact Mass534.06
IUPAC Namefluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane
SMILESC=C1OC(C)CC(C)C1C.CC1CC(C)C(C)C(CI)O1.F[Ag]
InChIInChI=1S/C9H17IO.C9H16O.Ag.FH/c1-6-4-7(2)11-9(5-10)8(6)3;1-6-5-7(2)10-9(4)8(6)3;;/h6-9H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;;1H/q;;+1;/p-1
InChIKeyRXSCMRQMOBMFSW-UHFFFAOYSA-M
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.23
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane?
The IUPAC name of fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane (CID 160758216) is fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane.
What is the SMILES notation for fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane?
The canonical SMILES for fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane is C=C1OC(C)CC(C)C1C.CC1CC(C)C(C)C(CI)O1.F[Ag].
What is the InChIKey of fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane?
The InChIKey is RXSCMRQMOBMFSW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17IO.C9H16O.Ag.FH/c1-6-4-7(2)11-9(5-10)8(6)3;1-6-5-7(2)10-9(4)8(6)3;;/h6-9H,4-5H2,1-3H3;6-8H,4-5H2,1-3H3;;1H/q;;+1;/p-1.
What are the key properties of fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane?
fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane has a molecular weight of 535.23 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluorosilver;2-(iodomethyl)-3,4,6-trimethyloxane;3,4,6-trimethyl-2-methylideneoxane is sourced from PubChem (CID 160758216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).