2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile

C12H21NO2Si — CID 11207183

IUPAC2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C#N
InChIInChI=1S/C12H21NO2Si/c1-12(9-13)7-6-10(8-11(12)14-2)15-16(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyBJQRJHOCZQJWFS-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.06
Rot. Bonds3

About 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile

2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile (PubChem CID 11207183) has the molecular formula C12H21NO2Si and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile
PubChem CID11207183
Molecular FormulaC12H21NO2Si
Molecular Weight239.39 g/mol
Exact Mass239.13
IUPAC Name2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile
SMILESCOC1C=C(O[Si](C)(C)C)CCC1(C)C#N
InChIInChI=1S/C12H21NO2Si/c1-12(9-13)7-6-10(8-11(12)14-2)15-16(3,4)5/h8,11H,6-7H2,1-5H3
InChIKeyBJQRJHOCZQJWFS-UHFFFAOYSA-N
XLogP3.06
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbon dioxide;(4-chloro-4-methylcyclohexen-1-yl)oxy-trimethylsilane
CID 162029724
4-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
CID 134992421
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
CID 15547914
trimethyl-[[(17R)-7,10,13,17-tetramethyl-3-trimethylsilyloxy-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]oxy]silane
CID 24893354
[(3S,4R)-3,4-dimethyl-6-trimethylsilyloxycyclohepta-1,5-dien-1-yl]oxy-trimethylsilane
CID 102257492
[(5S,10R,13S)-10,13-dimethyl-3-trimethylsilyloxy-2,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy-trimethylsilane
CID 91748437
10,13-dimethyl-3-trimethylsilyloxy-1,2,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 588408
3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yloxy(trimethyl)silane
CID 15609196
trimethyl-[4-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohexen-1-yl]oxysilane
CID 74955942
(3E)-2-methyl-4-trimethylsilyloxycyclohexadec-3-en-1-one
CID 11739269
(3-ethenyl-3-methylcyclohexen-1-yl)oxy-trimethylsilane
CID 606815
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 101214644

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile?
The IUPAC name of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile (CID 11207183) is 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile is COC1C=C(O[Si](C)(C)C)CCC1(C)C#N.
What is the InChIKey of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile?
The InChIKey is BJQRJHOCZQJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2Si/c1-12(9-13)7-6-10(8-11(12)14-2)15-16(3,4)5/h8,11H,6-7H2,1-5H3.
What are the key properties of 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile?
2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile has a molecular weight of 239.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 11207183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).