(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile

C11H19NOSi — CID 87266443

IUPAC(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
SMILESC[Si](C)(C)OC1(/C=C/C#N)CCCC1
InChIInChI=1S/C11H19NOSi/c1-14(2,3)13-11(9-6-10-12)7-4-5-8-11/h6,9H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyVOVAMFJTLMDCCE-RMKNXTFCSA-N
MW209.37 g/mol
LogP3.23
Rot. Bonds3

About (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile

(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile (PubChem CID 87266443) has the molecular formula C11H19NOSi and a molecular weight of 209.37 g/mol. Its IUPAC name is (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
PubChem CID87266443
Molecular FormulaC11H19NOSi
Molecular Weight209.37 g/mol
Exact Mass209.12
IUPAC Name(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
SMILESC[Si](C)(C)OC1(/C=C/C#N)CCCC1
InChIInChI=1S/C11H19NOSi/c1-14(2,3)13-11(9-6-10-12)7-4-5-8-11/h6,9H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyVOVAMFJTLMDCCE-RMKNXTFCSA-N
XLogP3.23
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
(Z)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094684
3-(1-Trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094685
3-(1-Hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane
CID 157245131
(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 101271354
(1S)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
CID 129410897
(1R)-3-methyl-1-trimethylsilyloxycyclopent-2-ene-1-carbonitrile
CID 129410898

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile (CID 87266443) is (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile is C[Si](C)(C)OC1(/C=C/C#N)CCCC1.
What is the InChIKey of (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile?
The InChIKey is VOVAMFJTLMDCCE-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H19NOSi/c1-14(2,3)13-11(9-6-10-12)7-4-5-8-11/h6,9H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile?
(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile has a molecular weight of 209.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile is sourced from PubChem (CID 87266443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).