[(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate

C34H70O5Si2 — CID 10348840

IUPAC[(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate
SMILESCC[C@@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CC
InChIInChI=1S/C34H70O5Si2/c1-19-23(3)21-25(5)29(38-40(15,16)33(9,10)11)27(7)31(35)37-32(36)28(8)30(26(6)22-24(4)20-2)39-41(17,18)34(12,13)14/h23-30H,19-22H2,1-18H3/t23-,24-,25-,26-,27+,28+,29+,30+/m1/s1
InChIKeyGNVVTPYNWWZEMV-TUWSUWLJSA-N
MW615.10 g/mol
LogP10.25
Rot. Bonds16

About [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate

[(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate (PubChem CID 10348840) has the molecular formula C34H70O5Si2 and a molecular weight of 615.10 g/mol. Its IUPAC name is [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate.

Molecular Properties

Compound Name[(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate
PubChem CID10348840
Molecular FormulaC34H70O5Si2
Molecular Weight615.10 g/mol
Exact Mass614.48
IUPAC Name[(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate
SMILESCC[C@@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CC
InChIInChI=1S/C34H70O5Si2/c1-19-23(3)21-25(5)29(38-40(15,16)33(9,10)11)27(7)31(35)37-32(36)28(8)30(26(6)22-24(4)20-2)39-41(17,18)34(12,13)14/h23-30H,19-22H2,1-18H3/t23-,24-,25-,26-,27+,28+,29+,30+/m1/s1
InChIKeyGNVVTPYNWWZEMV-TUWSUWLJSA-N
XLogP10.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.10
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate with MolForge

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Related Compounds

(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 11688270
ethyl (2R,4S,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylheptanoate
CID 154722516
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
1-[2-[[Dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]oxyethoxy]propan-2-yl 2-methylheptadecanoate
CID 121235918
(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl-dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone
CID 10504502
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212
(3R,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyl-3-trimethylsilyloxetan-2-one
CID 10929596
Decanoic acid, 2,2-dimethyl-3-[(trimethylsilyl)oxy]-, methyl ester
CID 11109446
(2S)-2-[(2S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methyl-8-oxooxocan-2-yl]propanal
CID 11142047
(3S,4S)-3-hexyl-4-[(2S)-2-tri(propan-2-yl)silyloxyheptyl]oxetan-2-one
CID 11844300
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
CID 24767664
methyl 2-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]acetate
CID 24949357

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate?
The IUPAC name of [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate (CID 10348840) is [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate.
What is the SMILES notation for [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate?
The canonical SMILES for [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate is CC[C@@H](C)C[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CC.
What is the InChIKey of [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate?
The InChIKey is GNVVTPYNWWZEMV-TUWSUWLJSA-N. The full InChI is InChI=1S/C34H70O5Si2/c1-19-23(3)21-25(5)29(38-40(15,16)33(9,10)11)27(7)31(35)37-32(36)28(8)30(26(6)22-24(4)20-2)39-41(17,18)34(12,13)14/h23-30H,19-22H2,1-18H3/t23-,24-,25-,26-,27+,28+,29+,30+/m1/s1.
What are the key properties of [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate?
[(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate has a molecular weight of 615.10 g/mol, XLogP of 10.25, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoyl] (2S,3S,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyloctanoate is sourced from PubChem (CID 10348840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).