(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one

C15H30O3Si — CID 46201376

IUPAC(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(=O)[C@@H]1C
InChIInChI=1S/C15H30O3Si/c1-9-12(18-19(7,8)15(4,5)6)10(2)13-11(3)14(16)17-13/h10-13H,9H2,1-8H3/t10-,11+,12+,13-/m0/s1
InChIKeyWPHDYRGVVWOOTB-LOWDOPEQSA-N
MW286.49 g/mol
LogP3.98
Rot. Bonds5

About (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one

(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one (PubChem CID 46201376) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one
PubChem CID46201376
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one
SMILESCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(=O)[C@@H]1C
InChIInChI=1S/C15H30O3Si/c1-9-12(18-19(7,8)15(4,5)6)10(2)13-11(3)14(16)17-13/h10-13H,9H2,1-8H3/t10-,11+,12+,13-/m0/s1
InChIKeyWPHDYRGVVWOOTB-LOWDOPEQSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxan-2-one
CID 10849827
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
(3R^*^,4S^*^)-3-Hexyl-3-(trimethylsilyl)-4-[(S^*^)-2'-(tert-butyl-dimethylsiloxy)-2'-cyclohexylethyl]-2-oxetanone
CID 10504502
(3R,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyl-3-trimethylsilyloxetan-2-one
CID 10929596
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
(3S,4S)-3-hexyl-4-[(2S)-2-tri(propan-2-yl)silyloxyheptyl]oxetan-2-one
CID 11844300
methyl (2R,3S,4S,5S)-7-acetyloxy-5-(methoxymethoxy)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 42600665
ethyl (4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyldecanoate
CID 56591110
(3Rs,4rs)-4-{(2s)-2-[t-butyl(dimethyl)silyl-oxy]heptyl}-3-hexyloxetan-2-one
CID 129750815
(3Rs,4rs)-4-[(2s)-2-{[t-butyl(dimethyl)silyl]-oxy}tridecyl]-3-hexyloxetan-2-one
CID 129758772
ethyl (4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethylheptanoate
CID 134845346

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one?
The IUPAC name of (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one (CID 46201376) is (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one.
What is the SMILES notation for (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one?
The canonical SMILES for (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one is CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one?
The InChIKey is WPHDYRGVVWOOTB-LOWDOPEQSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-9-12(18-19(7,8)15(4,5)6)10(2)13-11(3)14(16)17-13/h10-13H,9H2,1-8H3/t10-,11+,12+,13-/m0/s1.
What are the key properties of (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one?
(3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one has a molecular weight of 286.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3-methyloxetan-2-one is sourced from PubChem (CID 46201376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).