2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde

C26H52O6Si2 — CID 10907405

IUPAC2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[C@@H](C[C@@H]2COC(C)(C)O2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O6Si2/c1-18-22(31-33(10,11)24(2,3)4)20(14-15-27)29-21(16-19-17-28-26(8,9)30-19)23(18)32-34(12,13)25(5,6)7/h15,18-23H,14,16-17H2,1-13H3/t18-,19-,20+,21+,22-,23+/m1/s1
InChIKeyOIWXXWARKBENHN-AZZQQCEESA-N
MW516.87 g/mol
LogP6.30
Rot. Bonds8

About 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde

2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde (PubChem CID 10907405) has the molecular formula C26H52O6Si2 and a molecular weight of 516.87 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde
PubChem CID10907405
Molecular FormulaC26H52O6Si2
Molecular Weight516.87 g/mol
Exact Mass516.33
IUPAC Name2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[C@@H](C[C@@H]2COC(C)(C)O2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H52O6Si2/c1-18-22(31-33(10,11)24(2,3)4)20(14-15-27)29-21(16-19-17-28-26(8,9)30-19)23(18)32-34(12,13)25(5,6)7/h15,18-23H,14,16-17H2,1-13H3/t18-,19-,20+,21+,22-,23+/m1/s1
InChIKeyOIWXXWARKBENHN-AZZQQCEESA-N
XLogP6.30
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.87
LogP ≤ 56.30
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 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde with MolForge

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Related Compounds

(2R)-2-[(2R,3S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyloxan-2-yl]propanal
CID 11099136
(2S)-2-[(4S,5S,6S)-6-[[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]methyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propanal
CID 21638349
(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
(2R,4R)-4-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentanal
CID 25053807
(2S)-2-[(5aR,7S,8S,9aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,5a,7,8,9,9a-hexahydro-4H-pyrano[3,2-d][1,3]dioxepin-7-yl]propanal
CID 101368660
(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
(2R)-2-[(5aR,7S,8S,9aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-5,5a,7,8,9,9a-hexahydro-4H-pyrano[3,2-d][1,3]dioxepin-7-yl]propanal
CID 135079130
(R)-4-((2S,3S,5S)-5-ethyl-5-((2R,5R,6S)-5-ethyl-6-methyl-5-((triethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)-3-methyltetrahydrofuran-2-yl)hexan-3-one
CID 154731538
2-[4-[Tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-11-yl]acetaldehyde
CID 21246038
[4-[Tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-6-(4-methyl-2,5-dioxooxolan-3-yl)oxan-3-yl] acetate
CID 59917219
2-[(5R)-5-[(4S)-2,2-dimethyl-5-triethylsilyloxy-1,3-dioxan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 89338520
(3S)-3-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]butanal
CID 140857071

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde?
The IUPAC name of 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde (CID 10907405) is 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde?
The canonical SMILES for 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde is C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CC=O)O[C@@H](C[C@@H]2COC(C)(C)O2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde?
The InChIKey is OIWXXWARKBENHN-AZZQQCEESA-N. The full InChI is InChI=1S/C26H52O6Si2/c1-18-22(31-33(10,11)24(2,3)4)20(14-15-27)29-21(16-19-17-28-26(8,9)30-19)23(18)32-34(12,13)25(5,6)7/h15,18-23H,14,16-17H2,1-13H3/t18-,19-,20+,21+,22-,23+/m1/s1.
What are the key properties of 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde?
2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde has a molecular weight of 516.87 g/mol, XLogP of 6.30, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-4-methyloxan-2-yl]acetaldehyde is sourced from PubChem (CID 10907405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).