2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile

C11H17NOSi — CID 57364526

IUPAC2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
SMILESC[Si](C)(C)OC1(CC#N)C=CC=CC1
InChIInChI=1S/C11H17NOSi/c1-14(2,3)13-11(9-10-12)7-5-4-6-8-11/h4-7H,8-9H2,1-3H3
InChIKeyWFCYSJBHJSFYFO-UHFFFAOYSA-N
MW207.35 g/mol
LogP3.01
Rot. Bonds3

About 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile

2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile (PubChem CID 57364526) has the molecular formula C11H17NOSi and a molecular weight of 207.35 g/mol. Its IUPAC name is 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
PubChem CID57364526
Molecular FormulaC11H17NOSi
Molecular Weight207.35 g/mol
Exact Mass207.11
IUPAC Name2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
SMILESC[Si](C)(C)OC1(CC#N)C=CC=CC1
InChIInChI=1S/C11H17NOSi/c1-14(2,3)13-11(9-10-12)7-5-4-6-8-11/h4-7H,8-9H2,1-3H3
InChIKeyWFCYSJBHJSFYFO-UHFFFAOYSA-N
XLogP3.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile?
The IUPAC name of 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile (CID 57364526) is 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile.
What is the SMILES notation for 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile?
The canonical SMILES for 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile is C[Si](C)(C)OC1(CC#N)C=CC=CC1.
What is the InChIKey of 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile?
The InChIKey is WFCYSJBHJSFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOSi/c1-14(2,3)13-11(9-10-12)7-5-4-6-8-11/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile?
2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile has a molecular weight of 207.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile is sourced from PubChem (CID 57364526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).