(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile

C14H27NOSi — CID 10729578

IUPAC(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile
SMILESC/C=C/CCC(C)(C#N)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27NOSi/c1-6-10-11-12-14(5,13-15)16-17(7-2,8-3)9-4/h6,10H,7-9,11-12H2,1-5H3/b10-6+
InChIKeyWFGUSNSXIBFURP-UXBLZVDNSA-N
MW253.46 g/mol
LogP4.65
Rot. Bonds8

About (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile

(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile (PubChem CID 10729578) has the molecular formula C14H27NOSi and a molecular weight of 253.46 g/mol. Its IUPAC name is (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile.

Molecular Properties

Compound Name(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile
PubChem CID10729578
Molecular FormulaC14H27NOSi
Molecular Weight253.46 g/mol
Exact Mass253.19
IUPAC Name(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile
SMILESC/C=C/CCC(C)(C#N)O[Si](CC)(CC)CC
InChIInChI=1S/C14H27NOSi/c1-6-10-11-12-14(5,13-15)16-17(7-2,8-3)9-4/h6,10H,7-9,11-12H2,1-5H3/b10-6+
InChIKeyWFGUSNSXIBFURP-UXBLZVDNSA-N
XLogP4.65
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.46
LogP ≤ 54.65
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
(3S)-3-methyl-3-trimethylsilyloxyhept-6-enenitrile
CID 44239377
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
3-[Tert-butyl(dimethyl)silyl]oxycyclopent-2-ene-1-carbonitrile
CID 135070350
(E)-4-[tert-butyl(dimethyl)silyl]oxy-2-propylpent-3-enenitrile
CID 135070619
(4Z,8Z)-1-trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 141683107
(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile
CID 148654414
1-Trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 153914170
(1S)-1-trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 173737534
(2S)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile
CID 10171416
(2R)-2-methyl-3-prop-2-enyl-2-trimethylsilyloxyhex-5-enenitrile
CID 10214557
(E)-2-ethyl-2-trimethylsilyloxypent-3-enenitrile
CID 12633140

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile?
The IUPAC name of (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile (CID 10729578) is (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile.
What is the SMILES notation for (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile?
The canonical SMILES for (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile is C/C=C/CCC(C)(C#N)O[Si](CC)(CC)CC.
What is the InChIKey of (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile?
The InChIKey is WFGUSNSXIBFURP-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H27NOSi/c1-6-10-11-12-14(5,13-15)16-17(7-2,8-3)9-4/h6,10H,7-9,11-12H2,1-5H3/b10-6+.
What are the key properties of (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile?
(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile has a molecular weight of 253.46 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile is sourced from PubChem (CID 10729578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).