(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile

C11H21NOSi — CID 129409570

IUPAC(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
SMILESCCC/C=C/[C@@](C)(C#N)O[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-6-7-8-9-11(2,10-12)13-14(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+/t11-/m0/s1
InChIKeyLQDXSQVSHUFAKQ-FBOQAHMBSA-N
MW211.38 g/mol
LogP3.48
Rot. Bonds5

About (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile

(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile (PubChem CID 129409570) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile.

Molecular Properties

Compound Name(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
PubChem CID129409570
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
SMILESCCC/C=C/[C@@](C)(C#N)O[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-6-7-8-9-11(2,10-12)13-14(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+/t11-/m0/s1
InChIKeyLQDXSQVSHUFAKQ-FBOQAHMBSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 53.48
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

(E)-2-triethylsilyloxyhept-3-enenitrile
CID 10857577
(E)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile
CID 10921789
trans-1,4-Bis[(trimethylsilyl)oxy]cyclohexa-2,5-diene-1,4-dicarbonitrile
CID 12924729
(3E,5E)-2-prop-2-enyl-2-trimethylsilyloxyhepta-3,5-dienenitrile
CID 13705584
(E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-3-enenitrile
CID 15526500
(E)-2-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylhex-3-enenitrile
CID 15526503
(E,2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-3-enenitrile
CID 15720966
(E)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
CID 102194873
lithium (E)-2-trimethylsilyloxypent-3-enenitrile
CID 134975907
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
(Z,2R)-2-methyl-2-trimethylsilyloxynon-3-enenitrile
CID 135056615
(E,2R)-2-[tert-butyl(dimethyl)silyl]oxypent-3-enenitrile
CID 10965814

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile?
The IUPAC name of (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile (CID 129409570) is (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile.
What is the SMILES notation for (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile?
The canonical SMILES for (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile is CCC/C=C/[C@@](C)(C#N)O[Si](C)(C)C.
What is the InChIKey of (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile?
The InChIKey is LQDXSQVSHUFAKQ-FBOQAHMBSA-N. The full InChI is InChI=1S/C11H21NOSi/c1-6-7-8-9-11(2,10-12)13-14(3,4)5/h8-9H,6-7H2,1-5H3/b9-8+/t11-/m0/s1.
What are the key properties of (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile?
(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile has a molecular weight of 211.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile is sourced from PubChem (CID 129409570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).