(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one

C23H30O3Si — CID 16725141

IUPAC(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one
SMILESC[C@@H]1C(=O)O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O3Si/c1-17(21-18(2)22(24)26-21)16-25-27(23(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,21H,16H2,1-5H3/t17-,18-,21+/m0/s1
InChIKeyFNENDUINXSCMPR-BBTUJRGHSA-N
MW382.58 g/mol
LogP3.76
Rot. Bonds6

About (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one

(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one (PubChem CID 16725141) has the molecular formula C23H30O3Si and a molecular weight of 382.58 g/mol. Its IUPAC name is (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one
PubChem CID16725141
Molecular FormulaC23H30O3Si
Molecular Weight382.58 g/mol
Exact Mass382.20
IUPAC Name(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one
SMILESC[C@@H]1C(=O)O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H30O3Si/c1-17(21-18(2)22(24)26-21)16-25-27(23(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,21H,16H2,1-5H3/t17-,18-,21+/m0/s1
InChIKeyFNENDUINXSCMPR-BBTUJRGHSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.58
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one?
The IUPAC name of (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one (CID 16725141) is (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one.
What is the SMILES notation for (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one?
The canonical SMILES for (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one is C[C@@H]1C(=O)O[C@@H]1[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one?
The InChIKey is FNENDUINXSCMPR-BBTUJRGHSA-N. The full InChI is InChI=1S/C23H30O3Si/c1-17(21-18(2)22(24)26-21)16-25-27(23(3,4)5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,17-18,21H,16H2,1-5H3/t17-,18-,21+/m0/s1.
What are the key properties of (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one?
(3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one has a molecular weight of 382.58 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3-methyloxetan-2-one is sourced from PubChem (CID 16725141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).