(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one

C19H42O3Si2 — CID 134954182

IUPAC(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one
SMILESCCC(=O)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)[C@@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O3Si2/c1-11-18(20)16(6)19(22-23(8,9)10)15(5)17(7)21-24(12-2,13-3)14-4/h15-17,19H,11-14H2,1-10H3/t15-,16+,17-,19-/m1/s1
InChIKeyGSNPTCMIIAZUME-SFNKJDCFSA-N
MW374.71 g/mol
LogP5.87
Rot. Bonds12

About (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one

(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one (PubChem CID 134954182) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one.

Molecular Properties

Compound Name(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one
PubChem CID134954182
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one
SMILESCCC(=O)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)[C@@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O3Si2/c1-11-18(20)16(6)19(22-23(8,9)10)15(5)17(7)21-24(12-2,13-3)14-4/h15-17,19H,11-14H2,1-10H3/t15-,16+,17-,19-/m1/s1
InChIKeyGSNPTCMIIAZUME-SFNKJDCFSA-N
XLogP5.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5,7-Bis-{[tert-butyldimethylsilyl)oxy]}-4,4-dimethylheptan-3-one
CID 9909110
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-propylcyclohexan-1-one
CID 134887200
1-[(4R,5S,6R)-2,2-ditert-butyl-5-methyl-6-propan-2-yl-1,3,2-dioxasilinan-4-yl]butan-2-one
CID 10947879
cis-(2R,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxycyclohexan-1-one
CID 11065998
(6R,7S,8R)-6-hydroxy-7,9-dimethyl-8-triethylsilyloxydecane-2,4-dione
CID 11152128
(7S,8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-7,9-dimethyldecane-2,4-dione
CID 11462076
(3S,4S,5S,9R,10R)-10-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-3,5,7,9-tetramethyl-4-triethylsilyloxydodecan-6-one
CID 11620544
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(5R,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,2,6,8-tetramethylnonan-3-one
CID 15202433
(5S,6S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,2,6,8-tetramethylnonan-3-one
CID 15202434
(4R,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202437
(4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5,7-dimethyloctan-2-one
CID 15202438

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one?
The IUPAC name of (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one (CID 134954182) is (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one.
What is the SMILES notation for (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one?
The canonical SMILES for (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one is CCC(=O)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)[C@@H](C)O[Si](CC)(CC)CC.
What is the InChIKey of (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one?
The InChIKey is GSNPTCMIIAZUME-SFNKJDCFSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-11-18(20)16(6)19(22-23(8,9)10)15(5)17(7)21-24(12-2,13-3)14-4/h15-17,19H,11-14H2,1-10H3/t15-,16+,17-,19-/m1/s1.
What are the key properties of (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one?
(4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one has a molecular weight of 374.71 g/mol, XLogP of 5.87, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R,7R)-4,6-dimethyl-7-triethylsilyloxy-5-trimethylsilyloxyoctan-3-one is sourced from PubChem (CID 134954182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).