(1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile

C14H25NOSi — CID 100968848

IUPAC(1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
SMILESCC(C)C(C)(C)[Si](C)(C)OC1=C[C@H](C#N)CC1
InChIInChI=1S/C14H25NOSi/c1-11(2)14(3,4)17(5,6)16-13-8-7-12(9-13)10-15/h9,11-12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyZRDDAEODONPPBG-GFCCVEGCSA-N
MW251.45 g/mol
LogP4.46
Rot. Bonds4

About (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile

(1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile (PubChem CID 100968848) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile.

Molecular Properties

Compound Name(1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
PubChem CID100968848
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name(1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
SMILESCC(C)C(C)(C)[Si](C)(C)OC1=C[C@H](C#N)CC1
InChIInChI=1S/C14H25NOSi/c1-11(2)14(3,4)17(5,6)16-13-8-7-12(9-13)10-15/h9,11-12H,7-8H2,1-6H3/t12-/m1/s1
InChIKeyZRDDAEODONPPBG-GFCCVEGCSA-N
XLogP4.46
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 54.46
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 (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
The IUPAC name of (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile (CID 100968848) is (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile.
What is the SMILES notation for (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
The canonical SMILES for (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile is CC(C)C(C)(C)[Si](C)(C)OC1=C[C@H](C#N)CC1.
What is the InChIKey of (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
The InChIKey is ZRDDAEODONPPBG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-11(2)14(3,4)17(5,6)16-13-8-7-12(9-13)10-15/h9,11-12H,7-8H2,1-6H3/t12-/m1/s1.
What are the key properties of (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile?
(1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile has a molecular weight of 251.45 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile is sourced from PubChem (CID 100968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).