tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane

C34H62O2Si2 — CID 169074609

IUPACtert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
SMILESCC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H62O2Si2/c1-13-15-17-18-19-20-24-28-32(36-38(11,12)34(6,7)8)30-26-22-21-25-29-31(27-23-16-14-2)35-37(9,10)33(3,4)5/h16-18,20-26,29-32H,13-15,19,27-28H2,1-12H3/b18-17-,22-21-,23-16-,24-20-,29-25+,30-26+/t31-,32-/m0/s1
InChIKeyROOJBQYTGGVNGY-ZZNDDREJSA-N
MW559.04 g/mol
LogP11.48
Rot. Bonds17

About tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane

tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane (PubChem CID 169074609) has the molecular formula C34H62O2Si2 and a molecular weight of 559.04 g/mol. Its IUPAC name is tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
PubChem CID169074609
Molecular FormulaC34H62O2Si2
Molecular Weight559.04 g/mol
Exact Mass558.43
IUPAC Nametert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane
SMILESCC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H62O2Si2/c1-13-15-17-18-19-20-24-28-32(36-38(11,12)34(6,7)8)30-26-22-21-25-29-31(27-23-16-14-2)35-37(9,10)33(3,4)5/h16-18,20-26,29-32H,13-15,19,27-28H2,1-12H3/b18-17-,22-21-,23-16-,24-20-,29-25+,30-26+/t31-,32-/m0/s1
InChIKeyROOJBQYTGGVNGY-ZZNDDREJSA-N
XLogP11.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.04
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-5,6-Bis(trimethylsiloxy)-1,3-cyclohexadiene
CID 11086382
5,6-Bis(trimethylsilyloxy)-1,3-cyclohexadiene
CID 14470867
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
[(2E)-3,7-dimethyl-2-[1-tri(propan-2-yl)silyloxyethenyl]octa-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11168137
[(2S,3Z,5E,7R,9Z)-7,11-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethyl-2-methylundeca-3,5,9-trienoxy]-triethylsilane
CID 11731540
tert-butyl-dimethyl-[(5E)-7-triethylsilyloxyocta-5,7-dienoxy]silane
CID 13067723
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
CID 101567387
[(5S,7E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,7-dien-1-ynyl]-trimethylsilane
CID 134865464
tert-butyl-[(6E,8E)-deca-1,6,8-trien-5-yl]oxy-dimethylsilane
CID 134888524
triethyl-[(2E)-1-prop-2-enyl-3-triethylsilyl-5-(trimethylsilylmethyl)hexa-2,5-dienoxy]silane
CID 134945498
[(1E,3Z,5S,7Z)-1-[bis(3-methylbutan-2-yl)boranyl]deca-1,3,7-trien-5-yl]oxy-tert-butyl-dimethylsilane
CID 134999914
tert-butyl-dimethyl-[(Z)-4-trimethylsilyl-3-tri(propan-2-yl)silyloxyhex-4-en-2-yl]oxysilane
CID 135002741

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane (CID 169074609) is tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane is CC/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?
The InChIKey is ROOJBQYTGGVNGY-ZZNDDREJSA-N. The full InChI is InChI=1S/C34H62O2Si2/c1-13-15-17-18-19-20-24-28-32(36-38(11,12)34(6,7)8)30-26-22-21-25-29-31(27-23-16-14-2)35-37(9,10)33(3,4)5/h16-18,20-26,29-32H,13-15,19,27-28H2,1-12H3/b18-17-,22-21-,23-16-,24-20-,29-25+,30-26+/t31-,32-/m0/s1.
What are the key properties of tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane?
tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane has a molecular weight of 559.04 g/mol, XLogP of 11.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3Z,6S,7E,9Z,11E,13S,15Z,18Z)-13-[tert-butyl(dimethyl)silyl]oxydocosa-3,7,9,11,15,18-hexaen-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 169074609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).