(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one

C25H24O4 — CID 102066270

IUPAC(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one
SMILESC[C@@H]1OCC(=O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C25H24O4/c1-19-27-17-23(26)24(29-19)18-28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24H,17-18H2,1H3/t19-,24+/m1/s1
InChIKeyUNMXKESPBOQZAD-DVECYGJZSA-N
MW388.46 g/mol
LogP4.33
Rot. Bonds6

About (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one

(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one (PubChem CID 102066270) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one.

Molecular Properties

Compound Name(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one
PubChem CID102066270
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one
SMILESC[C@@H]1OCC(=O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C25H24O4/c1-19-27-17-23(26)24(29-19)18-28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24H,17-18H2,1H3/t19-,24+/m1/s1
InChIKeyUNMXKESPBOQZAD-DVECYGJZSA-N
XLogP4.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxirane
CID 71608137
(2S,3R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3-methyloxirane
CID 10861318
(4S)-4-[[(2S,4R,5R)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-yl]oxy]-3-propan-2-ylideneazetidin-2-one
CID 11340990
(3aR,4R,6R,6aR)-4-methoxy-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxathiole 2-oxide
CID 10766059
(1R,2R,5R)-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-3,6-dioxabicyclo[3.1.0]hexane
CID 22849380
(2S,3S,5R,6S)-2-methoxy-3,5-dimethyl-6-(trityloxymethyl)oxane
CID 134878021
(3S,4R,5R)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 10949057
(3S,4S,5S)-3,4-dimethyl-5-(trityloxymethyl)oxolan-2-one
CID 11632443
4-[(4-methoxyphenyl)-[(5-methyloxolan-2-yl)methoxy]-phenylmethyl]phenol
CID 171805579
(5R)-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-one
CID 10786507
(2R,6R)-2-methoxy-6-(trityloxymethyl)oxane
CID 56627536
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one?
The IUPAC name of (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one (CID 102066270) is (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one.
What is the SMILES notation for (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one?
The canonical SMILES for (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one is C[C@@H]1OCC(=O)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one?
The InChIKey is UNMXKESPBOQZAD-DVECYGJZSA-N. The full InChI is InChI=1S/C25H24O4/c1-19-27-17-23(26)24(29-19)18-28-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,24H,17-18H2,1H3/t19-,24+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one?
(2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one has a molecular weight of 388.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-4-(trityloxymethyl)-1,3-dioxan-5-one is sourced from PubChem (CID 102066270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).