(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one

C14H26O4Si — CID 23726557

IUPAC(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one
SMILESCC(=O)[C@@H](C[C@H]1OC(=O)[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-9-11(17-13(9)16)8-12(10(2)15)18-19(6,7)14(3,4)5/h9,11-12H,8H2,1-7H3/t9-,11-,12-/m1/s1
InChIKeyJDQNEGBXURPMGK-YUSALJHKSA-N
MW286.44 g/mol
LogP2.92
Rot. Bonds5

About (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one

(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one (PubChem CID 23726557) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one
PubChem CID23726557
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one
SMILESCC(=O)[C@@H](C[C@H]1OC(=O)[C@@H]1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O4Si/c1-9-11(17-13(9)16)8-12(10(2)15)18-19(6,7)14(3,4)5/h9,11-12H,8H2,1-7H3/t9-,11-,12-/m1/s1
InChIKeyJDQNEGBXURPMGK-YUSALJHKSA-N
XLogP2.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
(3S,4S)-3-hexyl-4-[(2S)-2-tri(propan-2-yl)silyloxyheptyl]oxetan-2-one
CID 11844300
(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
(3R,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynonyl]-3-(8-methylnonyl)-3-trimethylsilyloxetan-2-one
CID 10697727
(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxynonadecyl]-3-methyloxetan-2-one
CID 22848564
(3S,4S)-3-Hexyl-4[(S)-2-(triisopropylsilyloxy)tridecyl]-2-oxetanone
CID 25140053
2-Oxetanone, 3-hexyl-4-[(2R)-2-[[tris(1-methylethyl)silyl]oxy]tridecyl]-, (3S,4S)-
CID 46189712
(4S)-4-[(2S)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyloxetan-2-one
CID 57063643
(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyloxetan-2-one
CID 58160471
(3S,4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyloxetan-2-one
CID 58160473
4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxytridecyl]-3-hexyloxetan-2-one
CID 58160474

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one?
The IUPAC name of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one (CID 23726557) is (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one.
What is the SMILES notation for (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one?
The canonical SMILES for (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one is CC(=O)[C@@H](C[C@H]1OC(=O)[C@@H]1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one?
The InChIKey is JDQNEGBXURPMGK-YUSALJHKSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-9-11(17-13(9)16)8-12(10(2)15)18-19(6,7)14(3,4)5/h9,11-12H,8H2,1-7H3/t9-,11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one?
(3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one has a molecular weight of 286.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-oxobutyl]-3-methyloxetan-2-one is sourced from PubChem (CID 23726557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).