tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane

C25H50O3Si — CID 101104972

IUPACtert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane
SMILESCCCCCCCCCCCC(/C=C/C/C=C/O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C25H50O3Si/c1-8-9-10-11-12-13-14-15-17-20-24(27-23-26-5)21-18-16-19-22-28-29(6,7)25(2,3)4/h18-19,21-22,24H,8-17,20,23H2,1-7H3/b21-18+,22-19+
InChIKeyOZIPIGHMCNMRBG-MGJZZARISA-N
MW426.76 g/mol
LogP8.38
Rot. Bonds18

About tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane

tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane (PubChem CID 101104972) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane
PubChem CID101104972
Molecular FormulaC25H50O3Si
Molecular Weight426.76 g/mol
Exact Mass426.35
IUPAC Nametert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane
SMILESCCCCCCCCCCCC(/C=C/C/C=C/O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C25H50O3Si/c1-8-9-10-11-12-13-14-15-17-20-24(27-23-26-5)21-18-16-19-22-28-29(6,7)25(2,3)4/h18-19,21-22,24H,8-17,20,23H2,1-7H3/b21-18+,22-19+
InChIKeyOZIPIGHMCNMRBG-MGJZZARISA-N
XLogP8.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(1S,2R)-1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 10577214
tert-butyl-[(1S,2S)-1-cyclohex-2-en-1-yloxy-2-iododecoxy]-dimethylsilane
CID 10601271
tert-butyl-[(1S,2S)-1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 10743863
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxyethoxy]-dimethylsilane
CID 10789888
tert-butyl-[1-[(E)-hex-2-enoxy]-2-iododecoxy]-dimethylsilane
CID 15213976
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
2-[2-(tert-Butyldimethylsilanyloxy)ethyl]-6-[6-(tert-butyldimethylsilanyloxyhept-1-en 3-(2-methoxyethoxymethoxy)tetrahydropyran
CID 46894696
Tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane
CID 85201151
tert-butyl-dimethyl-[[(2E,13Z)-1-oxacyclopentadeca-2,13-dien-2-yl]oxy]silane
CID 134840408
tert-butyl-dimethyl-[[(2E,11E)-1-oxacyclotrideca-2,11-dien-2-yl]oxy]silane
CID 134840461
tert-butyl-[[(2R)-2-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyran-6-yl]oxy]-dimethylsilane
CID 134870697
tert-butyl-[2-iodo-1-[(E)-undec-2-en-4-yl]oxydecoxy]-dimethylsilane
CID 134879163

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane (CID 101104972) is tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane is CCCCCCCCCCCC(/C=C/C/C=C/O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane?
The InChIKey is OZIPIGHMCNMRBG-MGJZZARISA-N. The full InChI is InChI=1S/C25H50O3Si/c1-8-9-10-11-12-13-14-15-17-20-24(27-23-26-5)21-18-16-19-22-28-29(6,7)25(2,3)4/h18-19,21-22,24H,8-17,20,23H2,1-7H3/b21-18+,22-19+.
What are the key properties of tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane?
tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane has a molecular weight of 426.76 g/mol, XLogP of 8.38, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,4E)-6-(methoxymethoxy)heptadeca-1,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 101104972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).