triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane

C13H25IOSi — CID 141407624

IUPACtriethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)OC1CC=C(CI)CC1
InChIInChI=1S/C13H25IOSi/c1-4-16(5-2,6-3)15-13-9-7-12(11-14)8-10-13/h7,13H,4-6,8-11H2,1-3H3
InChIKeySCEPUHQZRZQGOY-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.92
Rot. Bonds6

About triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane

triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane (PubChem CID 141407624) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane
PubChem CID141407624
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Nametriethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane
SMILESCC[Si](CC)(CC)OC1CC=C(CI)CC1
InChIInChI=1S/C13H25IOSi/c1-4-16(5-2,6-3)15-13-9-7-12(11-14)8-10-13/h7,13H,4-6,8-11H2,1-3H3
InChIKeySCEPUHQZRZQGOY-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[4-(trifluoromethyl)cyclohex-3-en-1-yl]oxysilane
CID 158174309
Tert-butyl-(4-ethenylcyclohex-3-en-1-yl)oxy-dimethylsilane
CID 10752454
1-Oxa-2-silacyclohept-4-ene, 2,2,5-trimethyl-7-(2-methyl-2-propenyl)-
CID 11344864
(7S)-2,2,5-trimethyl-7-(2-methylprop-2-enyl)-6,7-dihydro-3H-oxasilepine
CID 91982734
tert-butyl-[(5S,6Z)-7-iodo-2-methylundeca-1,6-dien-5-yl]oxy-dimethylsilane
CID 101050721
6-[(Z)-5-iodopent-4-enyl]-2,2-dimethyl-5,6-dihydrooxasiline
CID 101161633
Tert-butyl-(3-iodo-2-methylcyclohex-2-en-1-yl)oxy-dimethylsilane
CID 134897032
tert-butyl-[(1S,3Z)-3-(1-iodoethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 10571671
tert-butyl-[(E)-1-iodooct-1-en-4-yl]oxy-dimethylsilane
CID 13564864
Silane, (3-cyclohexen-1-yloxy)(1,1-dimethylethyl)dimethyl-
CID 13690674
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 14408073
(E)-1-iodo-4-triethylsilyloxy-1-octene
CID 20442063

Frequently Asked Questions

What is the IUPAC name of triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane?
The IUPAC name of triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane (CID 141407624) is triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane.
What is the SMILES notation for triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane?
The canonical SMILES for triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane is CC[Si](CC)(CC)OC1CC=C(CI)CC1.
What is the InChIKey of triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane?
The InChIKey is SCEPUHQZRZQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-4-16(5-2,6-3)15-13-9-7-12(11-14)8-10-13/h7,13H,4-6,8-11H2,1-3H3.
What are the key properties of triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane?
triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane has a molecular weight of 352.33 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[4-(iodomethyl)cyclohex-3-en-1-yl]oxysilane is sourced from PubChem (CID 141407624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).