(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one

C25H32O4Si — CID 10598435

IUPAC(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one
SMILESC=C1OC(=O)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
InChIInChI=1S/C25H32O4Si/c1-18(23-19(2)20(3)28-24(26)29-23)17-27-30(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18-19,23H,3,17H2,1-2,4-6H3/t18-,19+,23-/m1/s1
InChIKeyVHKFMOKJPITFKW-SELNLUPBSA-N
MW424.61 g/mol
LogP4.88
Rot. Bonds6

About (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one

(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one (PubChem CID 10598435) has the molecular formula C25H32O4Si and a molecular weight of 424.61 g/mol. Its IUPAC name is (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one.

Molecular Properties

Compound Name(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one
PubChem CID10598435
Molecular FormulaC25H32O4Si
Molecular Weight424.61 g/mol
Exact Mass424.21
IUPAC Name(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one
SMILESC=C1OC(=O)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C
InChIInChI=1S/C25H32O4Si/c1-18(23-19(2)20(3)28-24(26)29-23)17-27-30(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18-19,23H,3,17H2,1-2,4-6H3/t18-,19+,23-/m1/s1
InChIKeyVHKFMOKJPITFKW-SELNLUPBSA-N
XLogP4.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-3,5-dimethyl-2,5-dihydropyran-6-one
CID 135015590
CID 101042348
CID 101042348
tert-butyl-diphenyl-[(2S)-2-[(2R,3S)-3-[(1R)-1-trimethylsilyloxybut-3-enyl]oxiran-2-yl]propoxy]silane
CID 177480214
(2S,3Z,5S,6R)-2-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-phenylmethoxy-2,5,6,7-tetrahydrooxocin-8-one
CID 24905946
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(2R,3R)-3-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]oxiran-2-yl]methyl 4-methylbenzenesulfonate
CID 10864313
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-1,3-dioxolan-2-one
CID 134880347
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
CID 169182431
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one?
The IUPAC name of (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one (CID 10598435) is (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one.
What is the SMILES notation for (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one?
The canonical SMILES for (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one is C=C1OC(=O)O[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1C.
What is the InChIKey of (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one?
The InChIKey is VHKFMOKJPITFKW-SELNLUPBSA-N. The full InChI is InChI=1S/C25H32O4Si/c1-18(23-19(2)20(3)28-24(26)29-23)17-27-30(25(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,18-19,23H,3,17H2,1-2,4-6H3/t18-,19+,23-/m1/s1.
What are the key properties of (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one?
(4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one has a molecular weight of 424.61 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-6-methylidene-1,3-dioxan-2-one is sourced from PubChem (CID 10598435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).