[(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate

C61H126O8Si4 — CID 25023050

IUPAC[(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate
SMILESC=CC[C@H](CC[C@@H](CCCC(C)C)OC(=O)C[C@H](CC[C@@H](CCCC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](CC[C@@H](CCCC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C61H126O8Si4/c1-28-32-50(64-56(62)45-54(68-72(24,25)60(14,15)16)43-41-52(37-30-34-48(4)5)66-70(20,21)58(8,9)10)39-40-51(36-29-33-47(2)3)65-57(63)46-55(69-73(26,27)61(17,18)19)44-42-53(38-31-35-49(6)7)67-71(22,23)59(11,12)13/h28,47-55H,1,29-46H2,2-27H3/t50-,51-,52-,53-,54+,55+/m1/s1
InChIKeyXIVUFPXSVLPBLG-UYDRIGPLSA-N
MW1100.01 g/mol
LogP19.55
Rot. Bonds37

About [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate

[(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate (PubChem CID 25023050) has the molecular formula C61H126O8Si4 and a molecular weight of 1100.01 g/mol. Its IUPAC name is [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate.

Molecular Properties

Compound Name[(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate
PubChem CID25023050
Molecular FormulaC61H126O8Si4
Molecular Weight1100.01 g/mol
Exact Mass1098.85
IUPAC Name[(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate
SMILESC=CC[C@H](CC[C@@H](CCCC(C)C)OC(=O)C[C@H](CC[C@@H](CCCC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](CC[C@@H](CCCC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C61H126O8Si4/c1-28-32-50(64-56(62)45-54(68-72(24,25)60(14,15)16)43-41-52(37-30-34-48(4)5)66-70(20,21)58(8,9)10)39-40-51(36-29-33-47(2)3)65-57(63)46-55(69-73(26,27)61(17,18)19)44-42-53(38-31-35-49(6)7)67-71(22,23)59(11,12)13/h28,47-55H,1,29-46H2,2-27H3/t50-,51-,52-,53-,54+,55+/m1/s1
InChIKeyXIVUFPXSVLPBLG-UYDRIGPLSA-N
XLogP19.55
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds37
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.01
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate with MolForge

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Related Compounds

(1S,6S,9R,13R,14S,15S,17R,19S)-14-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-15-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 56954377
(1S,6S,9R,13R,14S,15S,17R,19S)-6,13,19-trimethyl-11-methylidene-9-propyl-14,15-bis(triethylsilyloxy)-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021871
(1S,6S,9R,13R,14S,15S,17R,19S)-15-[tert-butyl(dimethyl)silyl]oxy-6,13,19-trimethyl-11-methylidene-9-propyl-14-triethylsilyloxy-8,20-dioxabicyclo[15.2.1]icosan-7-one
CID 135021872
Diethyl 2-[1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-2-enyl]propanedioate
CID 19904697
Diethyl 2-[6-[tert-butyl(dimethyl)silyl]oxy-2-methylideneheptyl]propanedioate
CID 19904720
Diethyl 2-[7-[tert-butyl(dimethyl)silyl]oxyoct-1-en-3-yl]propanedioate
CID 53878703
(4R,9E,11S)-7-methoxy-7,11-dimethyl-4-triethylsilyloxy-1-oxacyclododec-9-en-2-one
CID 71095201
methyl (2R)-2-[(1R)-1-acetyloxy-16-[(1R,2S)-2-[(19S,20S)-19-[tert-butyl(dimethyl)silyl]oxy-20-methyloctatriacontyl]cyclopropyl]hexadec-15-enyl]hexacosanoate
CID 87319057
methyl (2R)-2-[(E,1R)-1-acetyloxy-16-[(1R,2S)-2-[(19S,20S)-19-[tert-butyl(dimethyl)silyl]oxy-20-methyloctatriacontyl]cyclopropyl]hexadec-15-enyl]hexacosanoate
CID 89709416
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-triethylsilyloxynon-8-enoic acid
CID 162445747
[(1E,3S,4S)-1-iodo-2,4-dimethylhexa-1,5-dien-3-yl] (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-triethylsilyloxynon-8-enoate
CID 162445755
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methyl-6-triethylsilyloxynon-8-enoic acid
CID 162445776

Frequently Asked Questions

What is the IUPAC name of [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate?
The IUPAC name of [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate (CID 25023050) is [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate.
What is the SMILES notation for [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate?
The canonical SMILES for [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate is C=CC[C@H](CC[C@@H](CCCC(C)C)OC(=O)C[C@H](CC[C@@H](CCCC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(=O)C[C@H](CC[C@@H](CCCC(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate?
The InChIKey is XIVUFPXSVLPBLG-UYDRIGPLSA-N. The full InChI is InChI=1S/C61H126O8Si4/c1-28-32-50(64-56(62)45-54(68-72(24,25)60(14,15)16)43-41-52(37-30-34-48(4)5)66-70(20,21)58(8,9)10)39-40-51(36-29-33-47(2)3)65-57(63)46-55(69-73(26,27)61(17,18)19)44-42-53(38-31-35-49(6)7)67-71(22,23)59(11,12)13/h28,47-55H,1,29-46H2,2-27H3/t50-,51-,52-,53-,54+,55+/m1/s1.
What are the key properties of [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate?
[(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate has a molecular weight of 1100.01 g/mol, XLogP of 19.55, 37 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,9S)-9-[(3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoyl]oxy-2-methyldodec-11-en-6-yl] (3S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methylundecanoate is sourced from PubChem (CID 25023050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).