tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane

C21H40OSi2 — CID 11653482

IUPACtert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane
SMILESCCC(=C/[C@H](C)CC#C[Si](C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi2/c1-11-20(18-19(2)14-13-17-23(6,7)8)15-12-16-22-24(9,10)21(3,4)5/h12,15,18-19H,11,14,16H2,1-10H3/b15-12+,20-18-/t19-/m1/s1
InChIKeyFJKMDOFPLQGJMI-OBQPOMCRSA-N
MW364.72 g/mol
LogP6.81
Rot. Bonds7

About tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane

tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane (PubChem CID 11653482) has the molecular formula C21H40OSi2 and a molecular weight of 364.72 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane
PubChem CID11653482
Molecular FormulaC21H40OSi2
Molecular Weight364.72 g/mol
Exact Mass364.26
IUPAC Nametert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane
SMILESCCC(=C/[C@H](C)CC#C[Si](C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi2/c1-11-20(18-19(2)14-13-17-23(6,7)8)15-12-16-22-24(9,10)21(3,4)5/h12,15,18-19H,11,14,16H2,1-10H3/b15-12+,20-18-/t19-/m1/s1
InChIKeyFJKMDOFPLQGJMI-OBQPOMCRSA-N
XLogP6.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.72
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(2R,3E,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11163885
tert-butyl-[(2R,3Z,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 11336947
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane
CID 134887399
tert-butyl-[(2S,3Z,5E,7E,9E)-12-[tert-butyl(dimethyl)silyl]-2-methyldodeca-3,5,7,9-tetraen-11-ynoxy]-dimethylsilane
CID 134939492
tert-butyl-[(2R,3E,5E)-4-ethynyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134981864
tert-butyl-[(2R,3E,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134982625
tert-butyl-[(2R,3Z,5E)-4-ethyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134982626
tert-butyl-[(2R,3E,5E)-4-ethyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134982724
tert-butyl-[(2R,3Z,5E)-4-ethenyl-2-methyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 134983616
tert-butyl-dimethyl-[(2E,4Z)-2,4,6-trimethylocta-2,4-dienoxy]silane
CID 134993427

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane (CID 11653482) is tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane is CCC(=C/[C@H](C)CC#C[Si](C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane?
The InChIKey is FJKMDOFPLQGJMI-OBQPOMCRSA-N. The full InChI is InChI=1S/C21H40OSi2/c1-11-20(18-19(2)14-13-17-23(6,7)8)15-12-16-22-24(9,10)21(3,4)5/h12,15,18-19H,11,14,16H2,1-10H3/b15-12+,20-18-/t19-/m1/s1.
What are the key properties of tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane?
tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane has a molecular weight of 364.72 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane is sourced from PubChem (CID 11653482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).