[(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

C39H76O5Si3 — CID 11513219

IUPAC[(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
SMILESCOCO[C@@H](/C=C(C)/C=C/C=C(C)/C=C(C)/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C39H76O5Si3/c1-31(27-32(2)25-22-26-42-45(15,16)37(5,6)7)23-21-24-33(3)28-35(41-30-40-14)36(44-47(19,20)39(11,12)13)29-34(4)43-46(17,18)38(8,9)10/h21-25,27-28,34-36H,26,29-30H2,1-20H3/b24-21+,25-22+,31-23+,32-27+,33-28+/t34-,35-,36-/m0/s1
InChIKeyGDNIBSYNOAWQHS-SPOLALOFSA-N
MW709.29 g/mol
LogP12.14
Rot. Bonds18

About [(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

[(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 (PubChem CID 11513219) has the molecular formula C39H76O5Si3 and a molecular weight of 709.29 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID11513219
Molecular FormulaC39H76O5Si3
Molecular Weight709.29 g/mol
Exact Mass708.50
IUPAC Name[(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
SMILESCOCO[C@@H](/C=C(C)/C=C/C=C(C)/C=C(C)/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C39H76O5Si3/c1-31(27-32(2)25-22-26-42-45(15,16)37(5,6)7)23-21-24-33(3)28-35(41-30-40-14)36(44-47(19,20)39(11,12)13)29-34(4)43-46(17,18)38(8,9)10/h21-25,27-28,34-36H,26,29-30H2,1-20H3/b24-21+,25-22+,31-23+,32-27+,33-28+/t34-,35-,36-/m0/s1
InChIKeyGDNIBSYNOAWQHS-SPOLALOFSA-N
XLogP12.14
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.29
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(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 with MolForge

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Related Compounds

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
tert-butyl-[(E,2S,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-7-methylnon-6-en-8-yn-2-yl]oxy-dimethylsilane
CID 11568750
tert-butyl-[(2S,4S,5S,6E,8E)-4-[tert-butyl(dimethyl)silyl]oxy-9-iodo-5-(methoxymethoxy)-7-methylnona-6,8-dien-2-yl]oxy-dimethylsilane
CID 11621230
(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-pentaenoic acid
CID 11650181
(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-pentaenoic acid
CID 11685860
[(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
(2E,4E,8S,9S)-8-[tert-butyl(dimethyl)silyl]oxy-9-(methoxymethoxy)-2-methylundeca-2,4,10-trien-1-ol
CID 46197056
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
tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 134836950
tert-butyl-[(2R)-2-[(4S,5R)-5-[(1E,3E)-4-iodobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)ethoxy]-dimethylsilane
CID 134982499
tert-butyl-[(2R)-2-[(4S,5R)-5-[(1E,3Z)-4-iodobuta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(2-methoxyethoxymethoxy)ethoxy]-dimethylsilane
CID 134983129
tert-butyl-[(3E,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)penta-1,3-dien-2-yl]oxy-dimethylsilane
CID 132472691

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is COCO[C@@H](/C=C(C)/C=C/C=C(C)/C=C(C)/C=C/CO[Si](C)(C)C(C)(C)C)[C@H](C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(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?
The InChIKey is GDNIBSYNOAWQHS-SPOLALOFSA-N. The full InChI is InChI=1S/C39H76O5Si3/c1-31(27-32(2)25-22-26-42-45(15,16)37(5,6)7)23-21-24-33(3)28-35(41-30-40-14)36(44-47(19,20)39(11,12)13)29-34(4)43-46(17,18)38(8,9)10/h21-25,27-28,34-36H,26,29-30H2,1-20H3/b24-21+,25-22+,31-23+,32-27+,33-28+/t34-,35-,36-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 709.29 g/mol, XLogP of 12.14, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 11513219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).