(4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one

C25H54O3Si2 — CID 11070542

IUPAC(4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one
SMILESCC(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si2/c1-19(2)22(26)21(4)23(28-30(13,14)25(8,9)10)20(3)17-15-16-18-27-29(11,12)24(5,6)7/h19-21,23H,15-18H2,1-14H3/t20-,21-,23-/m0/s1
InChIKeyJQJRQVMDNJVBIT-FUDKSRODSA-N
MW458.88 g/mol
LogP8.07
Rot. Bonds12

About (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one

(4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one (PubChem CID 11070542) has the molecular formula C25H54O3Si2 and a molecular weight of 458.88 g/mol. Its IUPAC name is (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one.

Molecular Properties

Compound Name(4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one
PubChem CID11070542
Molecular FormulaC25H54O3Si2
Molecular Weight458.88 g/mol
Exact Mass458.36
IUPAC Name(4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one
SMILESCC(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O3Si2/c1-19(2)22(26)21(4)23(28-30(13,14)25(8,9)10)20(3)17-15-16-18-27-29(11,12)24(5,6)7/h19-21,23H,15-18H2,1-14H3/t20-,21-,23-/m0/s1
InChIKeyJQJRQVMDNJVBIT-FUDKSRODSA-N
XLogP8.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.88
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one with MolForge

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Related Compounds

3-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10085307
7,9-Bis(2,2,2-trifluoro-1-trimethylsilyloxyethyl)pentadecan-8-one
CID 149794465
6,8-Bis(2,2,2-trifluoro-1-trimethylsilyloxyethyl)tridecan-7-one
CID 152510567
8,10-Bis(2,2,2-trifluoro-1-trimethylsilyloxyethyl)heptadecan-9-one
CID 152650057
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
(4S,5S,6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 11716179
(4S,5S,6R)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptan-2-one
CID 24886405
(3R,4S,5R,7S)-5-methyl-3,4-bis(triethylsilyloxy)-7-trimethylsilyloxyoctan-2-one
CID 24898007
(6S)-4,6-dimethyl-5-triethylsilyloxyoctan-3-one
CID 46197383
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloctanal
CID 56591109
8-[Tert-butyl(dimethyl)silyl]oxy-4-methyloctan-2-one
CID 72824520

Frequently Asked Questions

What is the IUPAC name of (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one?
The IUPAC name of (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one (CID 11070542) is (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one.
What is the SMILES notation for (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one?
The canonical SMILES for (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one is CC(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one?
The InChIKey is JQJRQVMDNJVBIT-FUDKSRODSA-N. The full InChI is InChI=1S/C25H54O3Si2/c1-19(2)22(26)21(4)23(28-30(13,14)25(8,9)10)20(3)17-15-16-18-27-29(11,12)24(5,6)7/h19-21,23H,15-18H2,1-14H3/t20-,21-,23-/m0/s1.
What are the key properties of (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one?
(4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one has a molecular weight of 458.88 g/mol, XLogP of 8.07, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6S)-5,10-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethyldecan-3-one is sourced from PubChem (CID 11070542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).