(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

C10H17NOSi — CID 101271354

IUPAC(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC[Si](C)(C)O[C@]1(C#N)C=CCCC1
InChIInChI=1S/C10H17NOSi/c1-13(2,3)12-10(9-11)7-5-4-6-8-10/h5,7H,4,6,8H2,1-3H3/t10-/m1/s1
InChIKeyQSNRHVZQROCGTP-SNVBAGLBSA-N
MW195.34 g/mol
LogP2.84
Rot. Bonds2

About (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (PubChem CID 101271354) has the molecular formula C10H17NOSi and a molecular weight of 195.34 g/mol. Its IUPAC name is (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
PubChem CID101271354
Molecular FormulaC10H17NOSi
Molecular Weight195.34 g/mol
Exact Mass195.11
IUPAC Name(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC[Si](C)(C)O[C@]1(C#N)C=CCCC1
InChIInChI=1S/C10H17NOSi/c1-13(2,3)12-10(9-11)7-5-4-6-8-10/h5,7H,4,6,8H2,1-3H3/t10-/m1/s1
InChIKeyQSNRHVZQROCGTP-SNVBAGLBSA-N
XLogP2.84
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
3-[(Trimethylsilyl)oxy]cyclohex-2-ene-1-carbonitrile
CID 12411514
3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
2-Bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 86061848
(1R)-2-bromo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 101742523
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
(Z,2R)-2-methyl-2-trimethylsilyloxynon-3-enenitrile
CID 135056615
2-(1-Trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
CID 57364526
(Z)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094684
3-(1-Trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 67094685
4-[(Trimethylsilyl)oxy]cyclohex-3-ene-1-carbonitrile
CID 68527861
(E)-3-(1-trimethylsilyloxycyclopentyl)prop-2-enenitrile
CID 87266443

Frequently Asked Questions

What is the IUPAC name of (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (CID 101271354) is (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is C[Si](C)(C)O[C@]1(C#N)C=CCCC1.
What is the InChIKey of (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The InChIKey is QSNRHVZQROCGTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NOSi/c1-13(2,3)12-10(9-11)7-5-4-6-8-10/h5,7H,4,6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
(1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile has a molecular weight of 195.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 101271354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).