6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile

C12H19NOSi — CID 163569741

IUPAC6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
SMILESCCC1C=CC=CC1(C#N)O[Si](C)(C)C
InChIInChI=1S/C12H19NOSi/c1-5-11-8-6-7-9-12(11,10-13)14-15(2,3)4/h6-9,11H,5H2,1-4H3
InChIKeyFYGQQJWACMDDBK-UHFFFAOYSA-N
MW221.38 g/mol
LogP3.25
Rot. Bonds3

About 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile

6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile (PubChem CID 163569741) has the molecular formula C12H19NOSi and a molecular weight of 221.38 g/mol. Its IUPAC name is 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
PubChem CID163569741
Molecular FormulaC12H19NOSi
Molecular Weight221.38 g/mol
Exact Mass221.12
IUPAC Name6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
SMILESCCC1C=CC=CC1(C#N)O[Si](C)(C)C
InChIInChI=1S/C12H19NOSi/c1-5-11-8-6-7-9-12(11,10-13)14-15(2,3)4/h6-9,11H,5H2,1-4H3
InChIKeyFYGQQJWACMDDBK-UHFFFAOYSA-N
XLogP3.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
(3E,5E)-2-prop-2-enyl-2-trimethylsilyloxyhepta-3,5-dienenitrile
CID 13705584
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
(2E,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 22844414
2-(1-Methylethyl)-5,9,13-trimethyl-1-trimethylsiloxy-2,4,8,12-cyclotetradecatetraene-1-carbonitrile
CID 54477011
2-(1-Trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
CID 57364526
(2E,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 88432815
2-(6-Hydroxy-6-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
CID 140147268
(2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 140361275
5-Iodo-2,6,6-trimethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
CID 11089724
(2Z,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 20084791
2-Cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxybutanenitrile
CID 101254329

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile (CID 163569741) is 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile is CCC1C=CC=CC1(C#N)O[Si](C)(C)C.
What is the InChIKey of 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is FYGQQJWACMDDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOSi/c1-5-11-8-6-7-9-12(11,10-13)14-15(2,3)4/h6-9,11H,5H2,1-4H3.
What are the key properties of 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile?
6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 221.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 163569741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).