(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one

C25H24O3 — CID 10785516

IUPAC(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one
SMILESC[C@H]1CC(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c1-19-17-24(26)28-23(19)18-27-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/t19-,23+/m0/s1
InChIKeyLHVOHKXDSVCNRT-WMZHIEFXSA-N
MW372.46 g/mol
LogP4.95
Rot. Bonds6

About (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one

(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one (PubChem CID 10785516) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one
PubChem CID10785516
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one
SMILESC[C@H]1CC(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24O3/c1-19-17-24(26)28-23(19)18-27-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/t19-,23+/m0/s1
InChIKeyLHVOHKXDSVCNRT-WMZHIEFXSA-N
XLogP4.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one (CID 10785516) is (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one is C[C@H]1CC(=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one?
The InChIKey is LHVOHKXDSVCNRT-WMZHIEFXSA-N. The full InChI is InChI=1S/C25H24O3/c1-19-17-24(26)28-23(19)18-27-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3/t19-,23+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one?
(4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one has a molecular weight of 372.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-(trityloxymethyl)oxolan-2-one is sourced from PubChem (CID 10785516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).