[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane

C28H56O2Si3 — CID 58982217

IUPAC[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O2Si3/c1-15-16-19-22-25(29-32(11,12)27(2,3)4)26(30-33(13,14)28(5,6)7)23-20-17-18-21-24-31(8,9)10/h17-18,20,23,25-26H,15-16,19,22H2,1-14H3/b18-17+,23-20-/t25-,26-/m0/s1
InChIKeyVQUHIZRBUHTDQC-DHURLNCBSA-N
MW509.01 g/mol
LogP9.34
Rot. Bonds11

About [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane

[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 58982217) has the molecular formula C28H56O2Si3 and a molecular weight of 509.01 g/mol. Its IUPAC name is [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID58982217
Molecular FormulaC28H56O2Si3
Molecular Weight509.01 g/mol
Exact Mass508.36
IUPAC Name[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane
SMILESCCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H56O2Si3/c1-15-16-19-22-25(29-32(11,12)27(2,3)4)26(30-33(13,14)28(5,6)7)23-20-17-18-21-24-31(8,9)10/h17-18,20,23,25-26H,15-16,19,22H2,1-14H3/b18-17+,23-20-/t25-,26-/m0/s1
InChIKeyVQUHIZRBUHTDQC-DHURLNCBSA-N
XLogP9.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.01
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
tert-butyl-[3-[(2E)-1-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]-4-trimethylsilyloxycyclohex-2-en-1-yl]oxy-dimethylsilane
CID 11113802
tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
tert-butyl-[(6Z,8E)-henicosa-6,8-dien-11-yl]oxy-dimethylsilane
CID 11327675
tert-butyl-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylcyclohept-3-en-1-yl]oxy-dimethylsilane
CID 12162138
tert-butyl-[(1R,4E)-3-[(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414672
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
Tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-ethenylheptoxy]-dimethylsilane
CID 101937867
[(2E,11E)-7,16-dimethylidene-10-triethylsilyloxycyclooctadeca-2,11-dien-1-yl]oxy-triethylsilane
CID 134930766
tert-butyl-dimethyl-[(1S)-1-[(Z,1S)-2-trimethylsilyl-1-tri(propan-2-yl)silyloxybut-2-enyl]hexoxy]silane
CID 135059486
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
CID 138967662
[(2S,3R,6E,8E,10E)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-6,10-dimethyldodeca-6,8,10-trienoxy]-tert-butyl-dimethylsilane
CID 138984958

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane (CID 58982217) is [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane is CCCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=C\C=C\C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is VQUHIZRBUHTDQC-DHURLNCBSA-N. The full InChI is InChI=1S/C28H56O2Si3/c1-15-16-19-22-25(29-32(11,12)27(2,3)4)26(30-33(13,14)28(5,6)7)23-20-17-18-21-24-31(8,9)10/h17-18,20,23,25-26H,15-16,19,22H2,1-14H3/b18-17+,23-20-/t25-,26-/m0/s1.
What are the key properties of [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane?
[(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 509.01 g/mol, XLogP of 9.34, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z,7S,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]trideca-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 58982217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).