ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate

C28H58O5Si2 — CID 10929507

IUPACethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate
SMILESCCOC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC(C)=O
InChIInChI=1S/C28H58O5Si2/c1-16-31-28(30)27(33-35(21(8)9,22(10)11)23(12)13)26(24(14)17-25(15)29)32-34(18(2)3,19(4)5)20(6)7/h18-24,26-27H,16-17H2,1-15H3/t24-,26+,27-/m1/s1
InChIKeyKYKVEKWDNJRXFC-FXVJXKIMSA-N
MW530.94 g/mol
LogP8.29
Rot. Bonds16

About ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate

ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate (PubChem CID 10929507) has the molecular formula C28H58O5Si2 and a molecular weight of 530.94 g/mol. Its IUPAC name is ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate.

Molecular Properties

Compound Nameethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate
PubChem CID10929507
Molecular FormulaC28H58O5Si2
Molecular Weight530.94 g/mol
Exact Mass530.38
IUPAC Nameethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate
SMILESCCOC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC(C)=O
InChIInChI=1S/C28H58O5Si2/c1-16-31-28(30)27(33-35(21(8)9,22(10)11)23(12)13)26(24(14)17-25(15)29)32-34(18(2)3,19(4)5)20(6)7/h18-24,26-27H,16-17H2,1-15H3/t24-,26+,27-/m1/s1
InChIKeyKYKVEKWDNJRXFC-FXVJXKIMSA-N
XLogP8.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.94
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate with MolForge

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Launch Full Analysis

Related Compounds

2,3-Bis(trimethylsilyloxy)-4-methyloctanoic acid methyl ester
CID 129717592
[(3R,4S,5R)-2,4-dimethyl-7-oxo-3-triethylsilyloxynonan-5-yl] acetate
CID 134969676
Dimethyl 2-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-triethylsilyloxybutyl)butanedioate
CID 155931918
methyl (2S)-2-[(2S,5S,6S)-6-[(2R,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-oxoheptan-2-yl]-5-methyloxan-2-yl]propanoate
CID 11419366
(3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
CID 57788668
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one
CID 58133497
(3R,4S,5R,6R)-6-ethyl-3,4,5-tris(trimethylsilyloxy)oxan-2-one
CID 58242501
(3R,4S,5S,6R)-6-ethyl-4-methyl-3,5-bis(trimethylsilyloxy)oxan-2-one
CID 58340831
(3R,4S,5R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one
CID 58340879
(3S,4S,5S,6R)-6-ethyl-5-methyl-3,4-bis(trimethylsilyloxy)oxan-2-one
CID 58554924
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S)-2-methyl-3-oxobutyl]oxan-2-one
CID 70989429
1-O-butyl 4-O-methyl 2-(3-methylbutyl)-2-triethylsilyloxybutanedioate
CID 88965034

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate?
The IUPAC name of ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate (CID 10929507) is ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate.
What is the SMILES notation for ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate?
The canonical SMILES for ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate is CCOC(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)CC(C)=O.
What is the InChIKey of ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate?
The InChIKey is KYKVEKWDNJRXFC-FXVJXKIMSA-N. The full InChI is InChI=1S/C28H58O5Si2/c1-16-31-28(30)27(33-35(21(8)9,22(10)11)23(12)13)26(24(14)17-25(15)29)32-34(18(2)3,19(4)5)20(6)7/h18-24,26-27H,16-17H2,1-15H3/t24-,26+,27-/m1/s1.
What are the key properties of ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate?
ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate has a molecular weight of 530.94 g/mol, XLogP of 8.29, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4R)-4-methyl-6-oxo-2,3-bis[tri(propan-2-yl)silyloxy]heptanoate is sourced from PubChem (CID 10929507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).