2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile

C13H20N2OSi — CID 135041293

IUPAC2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile
SMILESC[Si](C)(C)OC1(C(C#N)=CC#N)CCCCC1
InChIInChI=1S/C13H20N2OSi/c1-17(2,3)16-13(8-5-4-6-9-13)12(11-15)7-10-14/h7H,4-6,8-9H2,1-3H3
InChIKeyMVYINGNFTARANA-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.51
Rot. Bonds3

About 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile

2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile (PubChem CID 135041293) has the molecular formula C13H20N2OSi and a molecular weight of 248.40 g/mol. Its IUPAC name is 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile.

Molecular Properties

Compound Name2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile
PubChem CID135041293
Molecular FormulaC13H20N2OSi
Molecular Weight248.40 g/mol
Exact Mass248.13
IUPAC Name2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile
SMILESC[Si](C)(C)OC1(C(C#N)=CC#N)CCCCC1
InChIInChI=1S/C13H20N2OSi/c1-17(2,3)16-13(8-5-4-6-9-13)12(11-15)7-10-14/h7H,4-6,8-9H2,1-3H3
InChIKeyMVYINGNFTARANA-UHFFFAOYSA-N
XLogP3.51
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4a-Methyl-2-trimethylsilyloxy-3,4,5,6,7,8-hexahydronaphthalene-2-carbonitrile
CID 15212899
3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 11694484
2-Methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 13812660
(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 24851173
3,5-Dimethyl-3-trimethylsilyloxycyclohex-4-ene-1,1,2,2-tetracarbonitrile
CID 101060244
(2S)-2-(cyclohexen-1-yl)-2-trimethylsilyloxypropanenitrile
CID 101146317
(Z)-2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile
CID 101538593
(1R)-2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile
CID 124925719
(1S)-2-cyclohexylidene-1-trimethylsilyloxycyclohexane-1-carbonitrile
CID 124925720
C16H27NOSi
CID 132987846

Frequently Asked Questions

What is the IUPAC name of 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile?
The IUPAC name of 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile (CID 135041293) is 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile.
What is the SMILES notation for 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile?
The canonical SMILES for 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile is C[Si](C)(C)OC1(C(C#N)=CC#N)CCCCC1.
What is the InChIKey of 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile?
The InChIKey is MVYINGNFTARANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OSi/c1-17(2,3)16-13(8-5-4-6-9-13)12(11-15)7-10-14/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile?
2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile has a molecular weight of 248.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-trimethylsilyloxycyclohexyl)but-2-enedinitrile is sourced from PubChem (CID 135041293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).