tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)

C12H25IOSiZn — CID 54671613

IUPACtert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)
SMILESCC(C)(C)[Si](C)(C)OC1CC[CH-]CC1.[Zn+]I
InChIInChI=1S/C12H25OSi.HI.Zn/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;;/h6,11H,7-10H2,1-5H3;1H;/q-1;;+2/p-1
InChIKeyPABNMGQKQKXQGD-UHFFFAOYSA-M
MW405.71 g/mol
LogP5.04
Rot. Bonds2

About tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)

tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+) (PubChem CID 54671613) has the molecular formula C12H25IOSiZn and a molecular weight of 405.71 g/mol. Its IUPAC name is tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+).

Molecular Properties

Compound Nametert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)
PubChem CID54671613
Molecular FormulaC12H25IOSiZn
Molecular Weight405.71 g/mol
Exact Mass404.00
IUPAC Nametert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)
SMILESCC(C)(C)[Si](C)(C)OC1CC[CH-]CC1.[Zn+]I
InChIInChI=1S/C12H25OSi.HI.Zn/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;;/h6,11H,7-10H2,1-5H3;1H;/q-1;;+2/p-1
InChIKeyPABNMGQKQKXQGD-UHFFFAOYSA-M
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohexyloxy)trimethylsilane
CID 262864
Cyclohexanol, DMTBS
CID 529216
Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
Cis-tert-butyl((4-fluorocyclohexyl)oxy)dimethylsilane
CID 134970123
tert-butyl-dimethyl-[(2R,6S)-2,4,6-trifluorocyclohexyl]oxysilane
CID 161233321
Dimethylsilyloxycyclohexane
CID 6329285
Silane, (cyclohexyloxy)triethyl-
CID 11390260
2-(tert-Butyldimethylsilyloxy)hexane
CID 6430230
Cyclohexyloxy-tri(propan-2-yl)silane
CID 12619130
(2-Iodocyclohexyl)oxy-trimethylsilane
CID 12624041
Tert-butyl-(4-iodocyclohexyl)oxy-dimethylsilane
CID 19904713
Tert-butyl-(2-fluorocyclohexyl)oxy-dimethylsilane
CID 123407639

Frequently Asked Questions

What is the IUPAC name of tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)?
The IUPAC name of tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+) (CID 54671613) is tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+).
What is the SMILES notation for tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)?
The canonical SMILES for tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+) is CC(C)(C)[Si](C)(C)OC1CC[CH-]CC1.[Zn+]I.
What is the InChIKey of tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)?
The InChIKey is PABNMGQKQKXQGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H25OSi.HI.Zn/c1-12(2,3)14(4,5)13-11-9-7-6-8-10-11;;/h6,11H,7-10H2,1-5H3;1H;/q-1;;+2/p-1.
What are the key properties of tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+)?
tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+) has a molecular weight of 405.71 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-cyclohexyloxy-dimethylsilane;iodozinc(1+) is sourced from PubChem (CID 54671613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).