triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane

C22H48OSi3 — CID 135068617

IUPACtriethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane
SMILESC=CC/C(=C\C(C[Si](C)(C)C)O[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C22H48OSi3/c1-11-18-22(25(12-2,13-3)14-4)19-21(20-24(8,9)10)23-26(15-5,16-6)17-7/h11,19,21H,1,12-18,20H2,2-10H3/b22-19+
InChIKeyAKZYFAMHFNSXLF-ZBJSNUHESA-N
MW412.88 g/mol
LogP8.27
Rot. Bonds14

About triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane

triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane (PubChem CID 135068617) has the molecular formula C22H48OSi3 and a molecular weight of 412.88 g/mol. Its IUPAC name is triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane.

Molecular Properties

Compound Nametriethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane
PubChem CID135068617
Molecular FormulaC22H48OSi3
Molecular Weight412.88 g/mol
Exact Mass412.30
IUPAC Nametriethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane
SMILESC=CC/C(=C\C(C[Si](C)(C)C)O[Si](CC)(CC)CC)[Si](CC)(CC)CC
InChIInChI=1S/C22H48OSi3/c1-11-18-22(25(12-2,13-3)14-4)19-21(20-24(8,9)10)23-26(15-5,16-6)17-7/h11,19,21H,1,12-18,20H2,2-10H3/b22-19+
InChIKeyAKZYFAMHFNSXLF-ZBJSNUHESA-N
XLogP8.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

triethylsilyl but-3-enoate
CID 158687975
tert-butyl (2E,4R)-4-triethylsilyloxyhepta-2,6-dienoate
CID 135032781
(2R)-2-triethylsilyloxybutanal
CID 88543648
methyl 2,2-dimethyl-3-triethylsilyloxypent-4-enoate
CID 11558120
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-ol
CID 53328468
triethyl-[(2E,4Z,6S)-6-methylnona-2,4,8-trien-4-yl]oxysilane
CID 11565216
triethyl-[(E,2R)-4-methoxy-4-trimethylsilyloxybut-3-en-2-yl]oxysilane
CID 11044938
triethyl-[(E)-1-triethylsilyloct-1-en-3-yl]oxysilane
CID 10428374
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
(3R,4R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-3-triethylsilyloxydec-9-en-1-ol
CID 52912234
(2R,4S)-1-phenyl-4-triethylsilyloxyhept-6-en-2-ol
CID 122388230
(E,2R,3R,6S,7R)-2,4,6-trimethyl-7-triethylsilyloxy-3-trimethylsilyloxyoct-4-enal
CID 71725889

Frequently Asked Questions

What is the IUPAC name of triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane?
The IUPAC name of triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane (CID 135068617) is triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane.
What is the SMILES notation for triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane?
The canonical SMILES for triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane is C=CC/C(=C\C(C[Si](C)(C)C)O[Si](CC)(CC)CC)[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane?
The InChIKey is AKZYFAMHFNSXLF-ZBJSNUHESA-N. The full InChI is InChI=1S/C22H48OSi3/c1-11-18-22(25(12-2,13-3)14-4)19-21(20-24(8,9)10)23-26(15-5,16-6)17-7/h11,19,21H,1,12-18,20H2,2-10H3/b22-19+.
What are the key properties of triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane?
triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane has a molecular weight of 412.88 g/mol, XLogP of 8.27, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4E)-6-triethylsilyloxy-7-trimethylsilylhepta-1,4-dien-4-yl]silane is sourced from PubChem (CID 135068617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).