tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane

C17H32OSi2 — CID 134887399

IUPACtert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane
SMILESCC(=C/C#C[Si](C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi2/c1-16(13-11-15-19(5,6)7)12-10-14-18-20(8,9)17(2,3)4/h10,12-13H,14H2,1-9H3/b12-10+,16-13-
InChIKeyJBMLIKKFICSKDS-YCNRLPBWSA-N
MW308.61 g/mol
LogP5.39
Rot. Bonds4

About tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane

tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane (PubChem CID 134887399) has the molecular formula C17H32OSi2 and a molecular weight of 308.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane
PubChem CID134887399
Molecular FormulaC17H32OSi2
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Nametert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane
SMILESCC(=C/C#C[Si](C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi2/c1-16(13-11-15-19(5,6)7)12-10-14-18-20(8,9)17(2,3)4/h10,12-13H,14H2,1-9H3/b12-10+,16-13-
InChIKeyJBMLIKKFICSKDS-YCNRLPBWSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.61
LogP ≤ 55.39
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-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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-[(2E,4Z,6R)-4-ethyl-6-methyl-9-trimethylsilylnona-2,4-dien-8-ynoxy]-dimethylsilane
CID 11653482
tert-butyl-[(2R,3Z,5E)-2,4-dimethyl-8-trimethylsilylocta-3,5-dien-7-ynoxy]-dimethylsilane
CID 101267042
tert-butyl-dimethyl-[(2E,4Z)-4-methylundeca-2,4-dienoxy]silane
CID 101267051
3-(2,2-Dimethyl-3,6-dihydrooxasilin-5-yl)but-3-en-1-ynyl-triethylsilane
CID 101770675
tert-butyl-[(2Z)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855242
tert-butyl-[(2E)-3-ethenyl-4-methylpenta-2,4-dienoxy]-dimethylsilane
CID 101855243
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane (CID 134887399) is tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane is CC(=C/C#C[Si](C)(C)C)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane?
The InChIKey is JBMLIKKFICSKDS-YCNRLPBWSA-N. The full InChI is InChI=1S/C17H32OSi2/c1-16(13-11-15-19(5,6)7)12-10-14-18-20(8,9)17(2,3)4/h10,12-13H,14H2,1-9H3/b12-10+,16-13-.
What are the key properties of tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane?
tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane has a molecular weight of 308.61 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4Z)-4-methyl-7-trimethylsilylhepta-2,4-dien-6-ynoxy]silane is sourced from PubChem (CID 134887399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).