2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile

C13H21NOSi — CID 101254331

IUPAC2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C)C(C#N)(O[Si](C)(C)C)C1=CC=CC1
InChIInChI=1S/C13H21NOSi/c1-11(2)13(10-14,15-16(3,4)5)12-8-6-7-9-12/h6-8,11H,9H2,1-5H3
InChIKeyQSLBHGBUOARXOH-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.64
Rot. Bonds4

About 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile

2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile (PubChem CID 101254331) has the molecular formula C13H21NOSi and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile
PubChem CID101254331
Molecular FormulaC13H21NOSi
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile
SMILESCC(C)C(C#N)(O[Si](C)(C)C)C1=CC=CC1
InChIInChI=1S/C13H21NOSi/c1-11(2)13(10-14,15-16(3,4)5)12-8-6-7-9-12/h6-8,11H,9H2,1-5H3
InChIKeyQSLBHGBUOARXOH-UHFFFAOYSA-N
XLogP3.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.64
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

(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
6-Ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
CID 163569741
(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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile (CID 101254331) is 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile is CC(C)C(C#N)(O[Si](C)(C)C)C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile?
The InChIKey is QSLBHGBUOARXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOSi/c1-11(2)13(10-14,15-16(3,4)5)12-8-6-7-9-12/h6-8,11H,9H2,1-5H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile?
2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile has a molecular weight of 235.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-3-methyl-2-trimethylsilyloxybutanenitrile is sourced from PubChem (CID 101254331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).