(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal

C32H68O5Si3 — CID 10897396

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal
SMILESCC(C)[Si](O[C@H]1C[C@H](C[C@H](CC=O)O[Si](C)(C)C(C)(C)C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C32H68O5Si3/c1-24(2)40(25(3)4,26(5)6)37-30-21-27(18-20-34-38(13,14)31(7,8)9)35-29(23-30)22-28(17-19-33)36-39(15,16)32(10,11)12/h19,24-30H,17-18,20-23H2,1-16H3/t27-,28-,29-,30+/m0/s1
InChIKeyUSEIJDUMOPKFJJ-GCXHJFECSA-N
MW617.15 g/mol
LogP9.88
Rot. Bonds15

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal (PubChem CID 10897396) has the molecular formula C32H68O5Si3 and a molecular weight of 617.15 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal
PubChem CID10897396
Molecular FormulaC32H68O5Si3
Molecular Weight617.15 g/mol
Exact Mass616.44
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal
SMILESCC(C)[Si](O[C@H]1C[C@H](C[C@H](CC=O)O[Si](C)(C)C(C)(C)C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C32H68O5Si3/c1-24(2)40(25(3)4,26(5)6)37-30-21-27(18-20-34-38(13,14)31(7,8)9)35-29(23-30)22-28(17-19-33)36-39(15,16)32(10,11)12/h19,24-30H,17-18,20-23H2,1-16H3/t27-,28-,29-,30+/m0/s1
InChIKeyUSEIJDUMOPKFJJ-GCXHJFECSA-N
XLogP9.88
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.15
LogP ≤ 59.88
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'}

Analyze (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal with MolForge

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Related Compounds

(3R,5R,7R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5-triethylsilyloxyoctanal
CID 11988980
2-[(2R,4R,6R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]oxan-2-yl]acetaldehyde
CID 44208039
(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]octadecanal
CID 46180568
(2R,6S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-hexyloxan-4-one
CID 101354245
(2R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxane-2-carbaldehyde
CID 134833656
(3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedial
CID 134970719
2-((2R,4S,6S)-6-((2S,4S)-2,4-bis(Methoxymethoxy)pentyl)-4-((tert-butyldimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 145864778
2-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]acetaldehyde
CID 10863468
Methyl 3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxoheptanoate
CID 23352459
tert-butyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-6-oxooxan-2-yl]butanoate
CID 59012142
Tert-butyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(6-oxooxan-2-yl)butanoate
CID 68768920
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2S)-6-oxooxan-2-yl]butanoate
CID 70824205

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal (CID 10897396) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal is CC(C)[Si](O[C@H]1C[C@H](C[C@H](CC=O)O[Si](C)(C)C(C)(C)C)O[C@@H](CCO[Si](C)(C)C(C)(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal?
The InChIKey is USEIJDUMOPKFJJ-GCXHJFECSA-N. The full InChI is InChI=1S/C32H68O5Si3/c1-24(2)40(25(3)4,26(5)6)37-30-21-27(18-20-34-38(13,14)31(7,8)9)35-29(23-30)22-28(17-19-33)36-39(15,16)32(10,11)12/h19,24-30H,17-18,20-23H2,1-16H3/t27-,28-,29-,30+/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal has a molecular weight of 617.15 g/mol, XLogP of 9.88, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,4R,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-tri(propan-2-yl)silyloxyoxan-2-yl]butanal is sourced from PubChem (CID 10897396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).