(2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal

C28H60O5Si3 — CID 23730310

IUPAC(2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal
SMILESC[C@H](C=O)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H60O5Si3/c1-21(20-29)25-24(33-36(15,16)28(8,9)10)19-23(32-35(13,14)27(5,6)7)22(31-25)17-18-30-34(11,12)26(2,3)4/h20-25H,17-19H2,1-16H3/t21-,22-,23-,24+,25+/m1/s1
InChIKeyOISPDOGRQMUHOU-LFCBLZOASA-N
MW561.04 g/mol
LogP8.17
Rot. Bonds10

About (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal

(2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal (PubChem CID 23730310) has the molecular formula C28H60O5Si3 and a molecular weight of 561.04 g/mol. Its IUPAC name is (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal.

Molecular Properties

Compound Name(2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal
PubChem CID23730310
Molecular FormulaC28H60O5Si3
Molecular Weight561.04 g/mol
Exact Mass560.37
IUPAC Name(2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal
SMILESC[C@H](C=O)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H60O5Si3/c1-21(20-29)25-24(33-36(15,16)28(8,9)10)19-23(32-35(13,14)27(5,6)7)22(31-25)17-18-30-34(11,12)26(2,3)4/h20-25H,17-19H2,1-16H3/t21-,22-,23-,24+,25+/m1/s1
InChIKeyOISPDOGRQMUHOU-LFCBLZOASA-N
XLogP8.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal?
The IUPAC name of (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal (CID 23730310) is (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal.
What is the SMILES notation for (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal?
The canonical SMILES for (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal is C[C@H](C=O)[C@@H]1O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal?
The InChIKey is OISPDOGRQMUHOU-LFCBLZOASA-N. The full InChI is InChI=1S/C28H60O5Si3/c1-21(20-29)25-24(33-36(15,16)28(8,9)10)19-23(32-35(13,14)27(5,6)7)22(31-25)17-18-30-34(11,12)26(2,3)4/h20-25H,17-19H2,1-16H3/t21-,22-,23-,24+,25+/m1/s1.
What are the key properties of (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal?
(2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal has a molecular weight of 561.04 g/mol, XLogP of 8.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxan-2-yl]propanal is sourced from PubChem (CID 23730310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).