methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate

C13H21NO3Si — CID 75113622

IUPACmethyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate
SMILESCOC(=O)C(C#N)(O[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C13H21NO3Si/c1-16-12(15)13(10-14,17-18(2,3)4)11-8-6-5-7-9-11/h8H,5-7,9H2,1-4H3
InChIKeyVHIRZSNIIKJQGB-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate

methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate (PubChem CID 75113622) has the molecular formula C13H21NO3Si and a molecular weight of 267.40 g/mol. Its IUPAC name is methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate.

Molecular Properties

Compound Namemethyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate
PubChem CID75113622
Molecular FormulaC13H21NO3Si
Molecular Weight267.40 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate
SMILESCOC(=O)C(C#N)(O[Si](C)(C)C)C1=CCCCC1
InChIInChI=1S/C13H21NO3Si/c1-16-12(15)13(10-14,17-18(2,3)4)11-8-6-5-7-9-11/h8H,5-7,9H2,1-4H3
InChIKeyVHIRZSNIIKJQGB-UHFFFAOYSA-N
XLogP2.77
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-cyano-2-[4-(trifluoromethyl)phenyl]-2-trimethylsilyloxyacetate
CID 45379164
methyl (2S)-2-(cyclopenten-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 172862637
2-(cyclohexen-1-yl)propan-2-yl 2,2-dimethylbutanoate
CID 163511434
2-(cyclopenten-1-yl)-2-(3-oxocyclopenten-1-yl)propanedinitrile
CID 611275
2-(cyclohexen-1-yl)-1,1-dimethoxypropan-2-ol
CID 106651265
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
dimethyl 2-(2-bromoprop-2-enyl)-2-[3-(cyclohexen-1-yl)prop-2-ynyl]propanedioate
CID 11394578
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
methyl cyclododecene-1-carboxylate
CID 54564642
2-(cyclohexen-1-yl)-2-prop-2-ynylpropanedinitrile
CID 121014192
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
CID 63564232

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate?
The IUPAC name of methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate (CID 75113622) is methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate.
What is the SMILES notation for methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate?
The canonical SMILES for methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate is COC(=O)C(C#N)(O[Si](C)(C)C)C1=CCCCC1.
What is the InChIKey of methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate?
The InChIKey is VHIRZSNIIKJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3Si/c1-16-12(15)13(10-14,17-18(2,3)4)11-8-6-5-7-9-11/h8H,5-7,9H2,1-4H3.
What are the key properties of methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate?
methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate has a molecular weight of 267.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyano-2-(cyclohexen-1-yl)-2-trimethylsilyloxyacetate is sourced from PubChem (CID 75113622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).