(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal

C24H48O4Si — CID 46895516

IUPAC(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal
SMILESCC[C@@H]1OC(C)(C)O[C@@H]([C@H](C)C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)[C@@H]1C
InChIInChI=1S/C24H48O4Si/c1-13-20-19(5)22(27-24(9,10)26-20)17(3)14-16(2)21(18(4)15-25)28-29(11,12)23(6,7)8/h15-22H,13-14H2,1-12H3/t16-,17-,18-,19-,20+,21-,22+/m1/s1
InChIKeyUZKGHSZXYXAEOE-CBDMQDTOSA-N
MW428.73 g/mol
LogP6.44
Rot. Bonds9

About (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal

(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal (PubChem CID 46895516) has the molecular formula C24H48O4Si and a molecular weight of 428.73 g/mol. Its IUPAC name is (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal.

Molecular Properties

Compound Name(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal
PubChem CID46895516
Molecular FormulaC24H48O4Si
Molecular Weight428.73 g/mol
Exact Mass428.33
IUPAC Name(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal
SMILESCC[C@@H]1OC(C)(C)O[C@@H]([C@H](C)C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)[C@@H]1C
InChIInChI=1S/C24H48O4Si/c1-13-20-19(5)22(27-24(9,10)26-20)17(3)14-16(2)21(18(4)15-25)28-29(11,12)23(6,7)8/h15-22H,13-14H2,1-12H3/t16-,17-,18-,19-,20+,21-,22+/m1/s1
InChIKeyUZKGHSZXYXAEOE-CBDMQDTOSA-N
XLogP6.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.73
LogP ≤ 56.44
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'}

Analyze (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal?
The IUPAC name of (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal (CID 46895516) is (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal.
What is the SMILES notation for (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal?
The canonical SMILES for (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal is CC[C@@H]1OC(C)(C)O[C@@H]([C@H](C)C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O)[C@@H]1C.
What is the InChIKey of (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal?
The InChIKey is UZKGHSZXYXAEOE-CBDMQDTOSA-N. The full InChI is InChI=1S/C24H48O4Si/c1-13-20-19(5)22(27-24(9,10)26-20)17(3)14-16(2)21(18(4)15-25)28-29(11,12)23(6,7)8/h15-22H,13-14H2,1-12H3/t16-,17-,18-,19-,20+,21-,22+/m1/s1.
What are the key properties of (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal?
(2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal has a molecular weight of 428.73 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]-2,4-dimethylheptanal is sourced from PubChem (CID 46895516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).