(2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal

C24H46O6Si — CID 11123372

IUPAC(2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal
SMILESC[C@@H]1[C@H]([C@H](C=O)CCOC2CCCCO2)OC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O6Si/c1-18-20(13-16-28-31(7,8)23(2,3)4)29-24(5,6)30-22(18)19(17-25)12-15-27-21-11-9-10-14-26-21/h17-22H,9-16H2,1-8H3/t18-,19-,20+,21?,22+/m0/s1
InChIKeyPVNGXENDWRKLDV-GALMUBKZSA-N
MW458.71 g/mol
LogP5.30
Rot. Bonds10

About (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal

(2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal (PubChem CID 11123372) has the molecular formula C24H46O6Si and a molecular weight of 458.71 g/mol. Its IUPAC name is (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal.

Molecular Properties

Compound Name(2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal
PubChem CID11123372
Molecular FormulaC24H46O6Si
Molecular Weight458.71 g/mol
Exact Mass458.31
IUPAC Name(2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal
SMILESC[C@@H]1[C@H]([C@H](C=O)CCOC2CCCCO2)OC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H46O6Si/c1-18-20(13-16-28-31(7,8)23(2,3)4)29-24(5,6)30-22(18)19(17-25)12-15-27-21-11-9-10-14-26-21/h17-22H,9-16H2,1-8H3/t18-,19-,20+,21?,22+/m0/s1
InChIKeyPVNGXENDWRKLDV-GALMUBKZSA-N
XLogP5.30
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.71
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal with MolForge

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Related Compounds

methyl 2-[(2S,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2S,3S)-3-methoxy-4-oxobutan-2-yl]-5-methyloxan-2-yl]acetate
CID 11362502
methyl 2-[(2R,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-2-methylcyclopropyl]ethyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate
CID 24862450
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
(2S,3R,4R,6R)-6-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-ethyl-3-(methoxymethoxy)-4-methylheptanal
CID 25052809
1-[(2R,4S,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]propan-2-one
CID 102522910
(4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)heptanal
CID 134863365
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2,6-dimethoxyoxan-4-yl)-2-methylbutanal
CID 134875261
(2R,3R,4R,5R,6R)-6-[(2S,3S,6S)-6-methoxy-3-methyloxan-2-yl]-2,4-dimethyl-3,5-bis(triethylsilyloxy)heptanal
CID 134953250
1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one
CID 134969675
3-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]butan-2-one
CID 134969856
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
methyl 2-[(2R,3S,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]acetate
CID 9997775

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal?
The IUPAC name of (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal (CID 11123372) is (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal.
What is the SMILES notation for (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal?
The canonical SMILES for (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal is C[C@@H]1[C@H]([C@H](C=O)CCOC2CCCCO2)OC(C)(C)O[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal?
The InChIKey is PVNGXENDWRKLDV-GALMUBKZSA-N. The full InChI is InChI=1S/C24H46O6Si/c1-18-20(13-16-28-31(7,8)23(2,3)4)29-24(5,6)30-22(18)19(17-25)12-15-27-21-11-9-10-14-26-21/h17-22H,9-16H2,1-8H3/t18-,19-,20+,21?,22+/m0/s1.
What are the key properties of (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal?
(2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal has a molecular weight of 458.71 g/mol, XLogP of 5.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-4-(oxan-2-yloxy)butanal is sourced from PubChem (CID 11123372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).