(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde

C19H40O4Si2 — CID 11036533

IUPAC(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)21-14-17-12-15(11-16(13-20)22-17)23-25(9,10)19(4,5)6/h13,15-17H,11-12,14H2,1-10H3/t15-,16-,17+/m1/s1
InChIKeyASLFHQUKIQKIQA-ZACQAIPSSA-N
MW388.70 g/mol
LogP5.15
Rot. Bonds6

About (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde

(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde (PubChem CID 11036533) has the molecular formula C19H40O4Si2 and a molecular weight of 388.70 g/mol. Its IUPAC name is (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
PubChem CID11036533
Molecular FormulaC19H40O4Si2
Molecular Weight388.70 g/mol
Exact Mass388.25
IUPAC Name(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1
InChIInChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)21-14-17-12-15(11-16(13-20)22-17)23-25(9,10)19(4,5)6/h13,15-17H,11-12,14H2,1-10H3/t15-,16-,17+/m1/s1
InChIKeyASLFHQUKIQKIQA-ZACQAIPSSA-N
XLogP5.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.70
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,6R)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070170
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
(2R,3R,6S)-6-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxyoxan-4-one
CID 13070171
(2S,3S)-3-[(2S,3R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-3-yl]oxyoxane-2-carbaldehyde
CID 11111515
(2R,3R,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 11308253
(2R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-dodecyloxane-2-carbaldehyde
CID 25138625
(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5,5-dimethyloxane-2-carbaldehyde
CID 44220750
(2R,3S,4S,5S,6R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 101740811

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde?
The IUPAC name of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde (CID 11036533) is (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde.
What is the SMILES notation for (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde?
The canonical SMILES for (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O1.
What is the InChIKey of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde?
The InChIKey is ASLFHQUKIQKIQA-ZACQAIPSSA-N. The full InChI is InChI=1S/C19H40O4Si2/c1-18(2,3)24(7,8)21-14-17-12-15(11-16(13-20)22-17)23-25(9,10)19(4,5)6/h13,15-17H,11-12,14H2,1-10H3/t15-,16-,17+/m1/s1.
What are the key properties of (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde?
(2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde has a molecular weight of 388.70 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde is sourced from PubChem (CID 11036533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).