2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile

C15H19NOSi — CID 101254335

IUPAC2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C15H19NOSi/c1-18(2,3)17-15(12-16,13-8-4-5-9-13)14-10-6-7-11-14/h4-8,10H,9,11H2,1-3H3
InChIKeyJEXFKZZMVZLDMM-UHFFFAOYSA-N
MW257.41 g/mol
LogP3.87
Rot. Bonds4

About 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile

2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile (PubChem CID 101254335) has the molecular formula C15H19NOSi and a molecular weight of 257.41 g/mol. Its IUPAC name is 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile
PubChem CID101254335
Molecular FormulaC15H19NOSi
Molecular Weight257.41 g/mol
Exact Mass257.12
IUPAC Name2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile
SMILESC[Si](C)(C)OC(C#N)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C15H19NOSi/c1-18(2,3)17-15(12-16,13-8-4-5-9-13)14-10-6-7-11-14/h4-8,10H,9,11H2,1-3H3
InChIKeyJEXFKZZMVZLDMM-UHFFFAOYSA-N
XLogP3.87
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(2E,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 88432815
(2Z,4Z,8Z,12Z)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 140361275
2-[Chloromethyl(dimethyl)silyl]oxy-2-(4-methylcyclopenta-1,3-dien-1-yl)propanenitrile
CID 157176273
(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
(2Z,4E,8E,12E)-5,9,13-trimethyl-2-propan-2-yl-1-trimethylsilyloxycyclotetradeca-2,4,8,12-tetraene-1-carbonitrile
CID 20084791
(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 24851173
2-Cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxybutanenitrile
CID 101254329
2-Cyclopenta-1,3-dien-1-yl-2-trimethylsilyloxypentanenitrile
CID 101254330

Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile (CID 101254335) is 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile is C[Si](C)(C)OC(C#N)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile?
The InChIKey is JEXFKZZMVZLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOSi/c1-18(2,3)17-15(12-16,13-8-4-5-9-13)14-10-6-7-11-14/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile?
2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile has a molecular weight of 257.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclopenta-1,3-dien-1-yl)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 101254335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).