(2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde

C28H60O5Si3 — CID 11215129

IUPAC(2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](C=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H60O5Si3/c1-15-36(16-2,17-3)33-25-20-23(21-29)32-24(18-19-30-34(11,12)26(4,5)6)28(25,10)22-31-35(13,14)27(7,8)9/h21,23-25H,15-20,22H2,1-14H3/t23-,24-,25+,28-/m1/s1
InChIKeySDOVKKHLSBXPMX-YKKMPQLRSA-N
MW561.04 g/mol
LogP8.17
Rot. Bonds13

About (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde

(2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde (PubChem CID 11215129) has the molecular formula C28H60O5Si3 and a molecular weight of 561.04 g/mol. Its IUPAC name is (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde
PubChem CID11215129
Molecular FormulaC28H60O5Si3
Molecular Weight561.04 g/mol
Exact Mass560.37
IUPAC Name(2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](C=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H60O5Si3/c1-15-36(16-2,17-3)33-25-20-23(21-29)32-24(18-19-30-34(11,12)26(4,5)6)28(25,10)22-31-35(13,14)27(7,8)9/h21,23-25H,15-20,22H2,1-14H3/t23-,24-,25+,28-/m1/s1
InChIKeySDOVKKHLSBXPMX-YKKMPQLRSA-N
XLogP8.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.04
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,5S,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772695
tert-butyl-dimethyl-(2-triethylsilyloxyethoxy)silane
CID 16742633
(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 14283028
(3aS,4S,6R,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbaldehyde
CID 134922821
2-[(1S,3R,4S,5R,7R,8S,9S,11R)-11-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,8-bis(triethylsilyloxy)-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-5-yl]acetic acid
CID 10770639
(2R,3R,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-5-triethylsilyloxyoxane-3,4-diol
CID 71607179
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 85273901
tert-butyl-[[(4S,6S)-6-butyl-2,2-dimethyl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 101195176
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-amine
CID 19794261
methyl 2-[(4R,6R)-6-[(2S,4S,6S,8R)-9-[(4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2,4,6,8-tetrahydroxynonyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 134878962
(2R,4R)-4-[(4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentanal
CID 25053807
cis-methyl (1S,2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropane-1-carboxylate
CID 140907186

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde?
The IUPAC name of (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde (CID 11215129) is (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde.
What is the SMILES notation for (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde?
The canonical SMILES for (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde is CC[Si](CC)(CC)O[C@H]1C[C@H](C=O)O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde?
The InChIKey is SDOVKKHLSBXPMX-YKKMPQLRSA-N. The full InChI is InChI=1S/C28H60O5Si3/c1-15-36(16-2,17-3)33-25-20-23(21-29)32-24(18-19-30-34(11,12)26(4,5)6)28(25,10)22-31-35(13,14)27(7,8)9/h21,23-25H,15-20,22H2,1-14H3/t23-,24-,25+,28-/m1/s1.
What are the key properties of (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde?
(2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde has a molecular weight of 561.04 g/mol, XLogP of 8.17, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4-triethylsilyloxyoxane-2-carbaldehyde is sourced from PubChem (CID 11215129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).