(8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal

C20H36O4Si — CID 10595243

IUPAC(8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal
SMILESC[C@H]1C=C(C[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C20H36O4Si/c1-16-14-17(19(22)23-16)15-18(12-10-8-7-9-11-13-21)24-25(5,6)20(2,3)4/h13-14,16,18H,7-12,15H2,1-6H3/t16-,18+/m0/s1
InChIKeyPYDWMNBDUQJVQM-FUHWJXTLSA-N
MW368.59 g/mol
LogP5.18
Rot. Bonds11

About (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal

(8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal (PubChem CID 10595243) has the molecular formula C20H36O4Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal.

Molecular Properties

Compound Name(8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal
PubChem CID10595243
Molecular FormulaC20H36O4Si
Molecular Weight368.59 g/mol
Exact Mass368.24
IUPAC Name(8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal
SMILESC[C@H]1C=C(C[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C)C(=O)O1
InChIInChI=1S/C20H36O4Si/c1-16-14-17(19(22)23-16)15-18(12-10-8-7-9-11-13-21)24-25(5,6)20(2,3)4/h13-14,16,18H,7-12,15H2,1-6H3/t16-,18+/m0/s1
InChIKeyPYDWMNBDUQJVQM-FUHWJXTLSA-N
XLogP5.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal?
The IUPAC name of (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal (CID 10595243) is (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal.
What is the SMILES notation for (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal?
The canonical SMILES for (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal is C[C@H]1C=C(C[C@@H](CCCCCCC=O)O[Si](C)(C)C(C)(C)C)C(=O)O1.
What is the InChIKey of (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal?
The InChIKey is PYDWMNBDUQJVQM-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H36O4Si/c1-16-14-17(19(22)23-16)15-18(12-10-8-7-9-11-13-21)24-25(5,6)20(2,3)4/h13-14,16,18H,7-12,15H2,1-6H3/t16-,18+/m0/s1.
What are the key properties of (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal?
(8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal has a molecular weight of 368.59 g/mol, XLogP of 5.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]nonanal is sourced from PubChem (CID 10595243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).