(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione

C18H38O4Si2 — CID 15098271

IUPAC(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione
SMILESCC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C18H38O4Si2/c1-13(19)15(21-23(9,10)17(3,4)5)16(14(2)20)22-24(11,12)18(6,7)8/h15-16H,1-12H3/t15-,16-/m0/s1
InChIKeyHKAXWBPADRKBHQ-HOTGVXAUSA-N
MW374.67 g/mol
LogP4.95
Rot. Bonds7

About (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione (PubChem CID 15098271) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione.

Molecular Properties

Compound Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione
PubChem CID15098271
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione
SMILESCC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=O
InChIInChI=1S/C18H38O4Si2/c1-13(19)15(21-23(9,10)17(3,4)5)16(14(2)20)22-24(11,12)18(6,7)8/h15-16H,1-12H3/t15-,16-/m0/s1
InChIKeyHKAXWBPADRKBHQ-HOTGVXAUSA-N
XLogP4.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione with MolForge

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Related Compounds

1,3,4,6-Tetrakis-O-(trimethylsilyl)hexo-2,5-diulose
CID 609198
3,4-Di(t-butyldimethylsilyloxy)pentan-2-one
CID 14281427
(2S,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575524
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575525
(2R,3R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575526
(2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pentanal
CID 101575527
(3S,4S)-1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione
CID 101640900
(3R,4R)-1,3,4,6-tetrakis(trimethylsilyloxy)hexane-2,5-dione
CID 101640901
1,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-3-tri(propan-2-yl)silyloxybutan-2-one
CID 102264915

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione?
The IUPAC name of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione (CID 15098271) is (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione.
What is the SMILES notation for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione?
The canonical SMILES for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione is CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C(C)=O.
What is the InChIKey of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione?
The InChIKey is HKAXWBPADRKBHQ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-13(19)15(21-23(9,10)17(3,4)5)16(14(2)20)22-24(11,12)18(6,7)8/h15-16H,1-12H3/t15-,16-/m0/s1.
What are the key properties of (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione?
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione has a molecular weight of 374.67 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,5-dione is sourced from PubChem (CID 15098271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).