tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane

C36H68O4Si2 — CID 11444947

IUPACtert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
SMILESCC(C)[Si](O[C@H](C)CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C36H68O4Si2/c1-29(2)42(30(3)4,31(5)6)40-32(7)24-20-16-15-17-21-25-33-28-34(39-36(11,12)38-33)26-22-18-19-23-27-37-41(13,14)35(8,9)10/h15,17-19,21-23,25,29-34H,16,20,24,26-28H2,1-14H3/b17-15+,22-18-,23-19+,25-21+/t32-,33+,34+/m1/s1
InChIKeyKJIPQHGPTQJDNT-UKTJZJNCSA-N
MW621.11 g/mol
LogP11.28
Rot. Bonds17

About tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane

tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane (PubChem CID 11444947) has the molecular formula C36H68O4Si2 and a molecular weight of 621.11 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
PubChem CID11444947
Molecular FormulaC36H68O4Si2
Molecular Weight621.11 g/mol
Exact Mass620.47
IUPAC Nametert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
SMILESCC(C)[Si](O[C@H](C)CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1)(C(C)C)C(C)C
InChIInChI=1S/C36H68O4Si2/c1-29(2)42(30(3)4,31(5)6)40-32(7)24-20-16-15-17-21-25-33-28-34(39-36(11,12)38-33)26-22-18-19-23-27-37-41(13,14)35(8,9)10/h15,17-19,21-23,25,29-34H,16,20,24,26-28H2,1-14H3/b17-15+,22-18-,23-19+,25-21+/t32-,33+,34+/m1/s1
InChIKeyKJIPQHGPTQJDNT-UKTJZJNCSA-N
XLogP11.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.11
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane with MolForge

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Related Compounds

(E)-3-[(4R,6S)-6-[(2Z,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]prop-2-enal
CID 11474485
[(2E,4E,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11513219
[(2E,4Z,6E,8E,10E,12S,13S,15S)-13,15-bis[[tert-butyl(dimethyl)silyl]oxy]-12-(methoxymethoxy)-4,6,10-trimethylhexadeca-2,4,6,8,10-pentaenoxy]-tert-butyl-dimethylsilane
CID 11693315
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
CID 134866038
[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane
CID 134866062
tert-butyl-[(3E)-4-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 134973048
[(4S,6R,9R)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3,7-trioxaspiro[5.5]undec-10-en-9-yl]oxy-tert-butyl-dimethylsilane
CID 10595242
tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 11067928
2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane
CID 11163278
(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienal
CID 11341101
[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane
CID 11378013

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane (CID 11444947) is tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane is CC(C)[Si](O[C@H](C)CCC/C=C/C=C/[C@H]1C[C@H](C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)OC(C)(C)O1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane?
The InChIKey is KJIPQHGPTQJDNT-UKTJZJNCSA-N. The full InChI is InChI=1S/C36H68O4Si2/c1-29(2)42(30(3)4,31(5)6)40-32(7)24-20-16-15-17-21-25-33-28-34(39-36(11,12)38-33)26-22-18-19-23-27-37-41(13,14)35(8,9)10/h15,17-19,21-23,25,29-34H,16,20,24,26-28H2,1-14H3/b17-15+,22-18-,23-19+,25-21+/t32-,33+,34+/m1/s1.
What are the key properties of tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane?
tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane has a molecular weight of 621.11 g/mol, XLogP of 11.28, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane is sourced from PubChem (CID 11444947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).