(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

C14H23NOSi — CID 24851173

IUPAC(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC=C(C)[C@@H]1CC=C(C)C(C#N)(O[Si](C)(C)C)C1
InChIInChI=1S/C14H23NOSi/c1-11(2)13-8-7-12(3)14(9-13,10-15)16-17(4,5)6/h7,13H,1,8-9H2,2-6H3/t13-,14?/m1/s1
InChIKeyBUSYTADWNFTCOZ-KWCCSABGSA-N
MW249.43 g/mol
LogP4.03
Rot. Bonds3

About (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile

(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (PubChem CID 24851173) has the molecular formula C14H23NOSi and a molecular weight of 249.43 g/mol. Its IUPAC name is (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
PubChem CID24851173
Molecular FormulaC14H23NOSi
Molecular Weight249.43 g/mol
Exact Mass249.15
IUPAC Name(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
SMILESC=C(C)[C@@H]1CC=C(C)C(C#N)(O[Si](C)(C)C)C1
InChIInChI=1S/C14H23NOSi/c1-11(2)13-8-7-12(3)14(9-13,10-15)16-17(4,5)6/h7,13H,1,8-9H2,2-6H3/t13-,14?/m1/s1
InChIKeyBUSYTADWNFTCOZ-KWCCSABGSA-N
XLogP4.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile (CID 24851173) is (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is C=C(C)[C@@H]1CC=C(C)C(C#N)(O[Si](C)(C)C)C1.
What is the InChIKey of (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
The InChIKey is BUSYTADWNFTCOZ-KWCCSABGSA-N. The full InChI is InChI=1S/C14H23NOSi/c1-11(2)13-8-7-12(3)14(9-13,10-15)16-17(4,5)6/h7,13H,1,8-9H2,2-6H3/t13-,14?/m1/s1.
What are the key properties of (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile?
(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile has a molecular weight of 249.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 24851173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).