(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

C52H100O8Si4 — CID 102325354

IUPAC(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESC[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C=C/[C@@H]1C
InChIInChI=1S/C52H100O8Si4/c1-37-31-27-29-33-44(54)58-46(42(6)48(60-64(25,26)52(16,17)18)40(4)36-56-62(21,22)50(10,11)12)38(2)32-28-30-34-43(53)57-45(37)41(5)47(59-63(23,24)51(13,14)15)39(3)35-55-61(19,20)49(7,8)9/h27-34,37-42,45-48H,35-36H2,1-26H3/b31-27+,32-28+,33-29+,34-30+/t37-,38-,39+,40+,41+,42+,45-,46-,47-,48-/m0/s1
InChIKeyAQOQABMRLOOAMI-MXMFIHOXSA-N
MW965.71 g/mol
LogP14.69
Rot. Bonds16

About (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (PubChem CID 102325354) has the molecular formula C52H100O8Si4 and a molecular weight of 965.71 g/mol. Its IUPAC name is (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.

Molecular Properties

Compound Name(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
PubChem CID102325354
Molecular FormulaC52H100O8Si4
Molecular Weight965.71 g/mol
Exact Mass964.65
IUPAC Name(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESC[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C=C/[C@@H]1C
InChIInChI=1S/C52H100O8Si4/c1-37-31-27-29-33-44(54)58-46(42(6)48(60-64(25,26)52(16,17)18)40(4)36-56-62(21,22)50(10,11)12)38(2)32-28-30-34-43(53)57-45(37)41(5)47(59-63(23,24)51(13,14)15)39(3)35-55-61(19,20)49(7,8)9/h27-34,37-42,45-48H,35-36H2,1-26H3/b31-27+,32-28+,33-29+,34-30+/t37-,38-,39+,40+,41+,42+,45-,46-,47-,48-/m0/s1
InChIKeyAQOQABMRLOOAMI-MXMFIHOXSA-N
XLogP14.69
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.71
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione with MolForge

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Related Compounds

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CID 10898003

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The IUPAC name of (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (CID 102325354) is (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.
What is the SMILES notation for (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The canonical SMILES for (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is C[C@@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C)OC(=O)/C=C/C=C/[C@@H]1C.
What is the InChIKey of (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The InChIKey is AQOQABMRLOOAMI-MXMFIHOXSA-N. The full InChI is InChI=1S/C52H100O8Si4/c1-37-31-27-29-33-44(54)58-46(42(6)48(60-64(25,26)52(16,17)18)40(4)36-56-62(21,22)50(10,11)12)38(2)32-28-30-34-43(53)57-45(37)41(5)47(59-63(23,24)51(13,14)15)39(3)35-55-61(19,20)49(7,8)9/h27-34,37-42,45-48H,35-36H2,1-26H3/b31-27+,32-28+,33-29+,34-30+/t37-,38-,39+,40+,41+,42+,45-,46-,47-,48-/m0/s1.
What are the key properties of (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
(3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione has a molecular weight of 965.71 g/mol, XLogP of 14.69, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7S,8S,11E,13E,15S,16S)-8,16-bis[(2R,3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-2-yl]-7,15-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is sourced from PubChem (CID 102325354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).