(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione

C30H58O6Si2 — CID 14544086

IUPAC(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione
SMILESCC(C(=O)CC[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O6Si2/c1-21(36-38(13,14)28(6,7)8)19-24(32)22(2)23(31)15-17-29(9)25(34-29)16-18-30(10)26(35-30)20-33-37(11,12)27(3,4)5/h21-22,25-26H,15-20H2,1-14H3/t21-,22?,25-,26-,29-,30-/m1/s1
InChIKeySOSCBJBJLVCLIT-SHNFYLIFSA-N
MW570.96 g/mol
LogP7.46
Rot. Bonds15

About (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione

(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione (PubChem CID 14544086) has the molecular formula C30H58O6Si2 and a molecular weight of 570.96 g/mol. Its IUPAC name is (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione.

Molecular Properties

Compound Name(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione
PubChem CID14544086
Molecular FormulaC30H58O6Si2
Molecular Weight570.96 g/mol
Exact Mass570.38
IUPAC Name(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione
SMILESCC(C(=O)CC[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C30H58O6Si2/c1-21(36-38(13,14)28(6,7)8)19-24(32)22(2)23(31)15-17-29(9)25(34-29)16-18-30(10)26(35-30)20-33-37(11,12)27(3,4)5/h21-22,25-26H,15-20H2,1-14H3/t21-,22?,25-,26-,29-,30-/m1/s1
InChIKeySOSCBJBJLVCLIT-SHNFYLIFSA-N
XLogP7.46
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.96
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione with MolForge

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Related Compounds

1-[(2S,3S,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 10940275
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-(hydroxymethyl)-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]octan-3-one
CID 134882919
1-[3,4-Bis(trimethylsilyloxy)-5-[[3-(3-trimethylsilyloxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 14704863
1-[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[3-[3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 21648469
1-[(2S,3R,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2S,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 54293760
2-[(2S,3R,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2S,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]acetaldehyde
CID 57044160
1-[(2S,3R,4R,5S)-3,4-bis(trimethylsilyloxy)-5-[[3-(3-trimethylsilyloxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 88402705
1-[(3S,4R,5R,6R)-4,5-bis(trimethylsilyloxy)-6-[[(2S,3S)-3-[(2S,3S)-3-trimethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-3-yl]-1-trimethylsilyloxypropan-2-one
CID 88405287
1-[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[dimethylsilyloxy-[3-(3,4,4-trimethylpentan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 173353777
1-[5-[2-[2-Methyl-3-(3-silyloxybutan-2-yl)oxiran-2-yl]propan-2-yl]-3,4-bis(trimethylsilyloxy)oxan-2-yl]propan-2-one
CID 173391374
1-[(2S,3S,4R,5S)-3,4-bis(triethylsilyloxy)-5-[[(2S,3S)-3-[(2R,3S)-3-triethylsilyloxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]propan-2-one
CID 11136011
(3R,4S,5S,6R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-methoxy-3,5-dimethyl-4,6-bis(triethylsilyloxy)nonan-2-one
CID 50901910

Frequently Asked Questions

What is the IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione?
The IUPAC name of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione (CID 14544086) is (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione.
What is the SMILES notation for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione?
The canonical SMILES for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione is CC(C(=O)CC[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione?
The InChIKey is SOSCBJBJLVCLIT-SHNFYLIFSA-N. The full InChI is InChI=1S/C30H58O6Si2/c1-21(36-38(13,14)28(6,7)8)19-24(32)22(2)23(31)15-17-29(9)25(34-29)16-18-30(10)26(35-30)20-33-37(11,12)27(3,4)5/h21-22,25-26H,15-20H2,1-14H3/t21-,22?,25-,26-,29-,30-/m1/s1.
What are the key properties of (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione?
(7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione has a molecular weight of 570.96 g/mol, XLogP of 7.46, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-[2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-4-methyloctane-3,5-dione is sourced from PubChem (CID 14544086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).