(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one

C18H36O4Si — CID 135012526

IUPAC(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one
SMILESCC(C)[Si](O[C@H]1[C@@H](C)[C@H](CCO)OC(=O)[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-11(2)23(12(3)4,13(5)6)22-17-14(7)16(9-10-19)21-18(20)15(17)8/h11-17,19H,9-10H2,1-8H3/t14-,15+,16-,17-/m0/s1
InChIKeyWZLWLXDHSLNIRD-YVSFHVDLSA-N
MW344.57 g/mol
LogP4.13
Rot. Bonds7

About (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one

(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one (PubChem CID 135012526) has the molecular formula C18H36O4Si and a molecular weight of 344.57 g/mol. Its IUPAC name is (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one
PubChem CID135012526
Molecular FormulaC18H36O4Si
Molecular Weight344.57 g/mol
Exact Mass344.24
IUPAC Name(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one
SMILESCC(C)[Si](O[C@H]1[C@@H](C)[C@H](CCO)OC(=O)[C@@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C18H36O4Si/c1-11(2)23(12(3)4,13(5)6)22-17-14(7)16(9-10-19)21-18(20)15(17)8/h11-17,19H,9-10H2,1-8H3/t14-,15+,16-,17-/m0/s1
InChIKeyWZLWLXDHSLNIRD-YVSFHVDLSA-N
XLogP4.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one with MolForge

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Related Compounds

(3S,4S,6R)-3-Hexyltetrahydro-4-hydroxy-6-undecyl-2H-pyran-2-one
CID 11013671
Penicitide A
CID 139587362
(4R,5S,6S)-4-hydroxy-6-[(4S)-4-hydroxyhexyl]-5-methyloxan-2-one
CID 11424727
4-Hydroxy-6-(10-hydroxy-5,7-dimethylundecyl)oxan-2-one
CID 163080374
(3S,4R,6S)-3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 14607533
(3R,4S,5R,6S,7S,9R,10S,11S,12R,13R,14R)-14-ethyl-4,6,10,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
CID 9543570
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
Orlistat Impurity 73
CID 14607534
3-Hexyl-4-hydroxy-6-undecyl-tetrahydropyran-2-one
CID 10665857
Orlistat Impurity 30
CID 22853395
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
The IUPAC name of (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one (CID 135012526) is (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one.
What is the SMILES notation for (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
The canonical SMILES for (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one is CC(C)[Si](O[C@H]1[C@@H](C)[C@H](CCO)OC(=O)[C@@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
The InChIKey is WZLWLXDHSLNIRD-YVSFHVDLSA-N. The full InChI is InChI=1S/C18H36O4Si/c1-11(2)23(12(3)4,13(5)6)22-17-14(7)16(9-10-19)21-18(20)15(17)8/h11-17,19H,9-10H2,1-8H3/t14-,15+,16-,17-/m0/s1.
What are the key properties of (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one?
(3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one has a molecular weight of 344.57 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S)-6-(2-hydroxyethyl)-3,5-dimethyl-4-tri(propan-2-yl)silyloxyoxan-2-one is sourced from PubChem (CID 135012526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).