(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal

C18H36O2Si — CID 10519222

IUPAC(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal
SMILESCCCCC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
InChIInChI=1S/C18H36O2Si/c1-9-10-11-12-13-15(2)17(16(3)14-19)20-21(7,8)18(4,5)6/h13-14,16-17H,9-12H2,1-8H3/b15-13+/t16-,17+/m1/s1
InChIKeyVTUFJEOCQVPLEG-CRMBIJGISA-N
MW312.57 g/mol
LogP5.74
Rot. Bonds9

About (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal

(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal (PubChem CID 10519222) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal.

Molecular Properties

Compound Name(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal
PubChem CID10519222
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal
SMILESCCCCC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O
InChIInChI=1S/C18H36O2Si/c1-9-10-11-12-13-15(2)17(16(3)14-19)20-21(7,8)18(4,5)6/h13-14,16-17H,9-12H2,1-8H3/b15-13+/t16-,17+/m1/s1
InChIKeyVTUFJEOCQVPLEG-CRMBIJGISA-N
XLogP5.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal?
The IUPAC name of (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal (CID 10519222) is (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal.
What is the SMILES notation for (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal?
The canonical SMILES for (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal is CCCCC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=O.
What is the InChIKey of (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal?
The InChIKey is VTUFJEOCQVPLEG-CRMBIJGISA-N. The full InChI is InChI=1S/C18H36O2Si/c1-9-10-11-12-13-15(2)17(16(3)14-19)20-21(7,8)18(4,5)6/h13-14,16-17H,9-12H2,1-8H3/b15-13+/t16-,17+/m1/s1.
What are the key properties of (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal?
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal has a molecular weight of 312.57 g/mol, XLogP of 5.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldec-4-enal is sourced from PubChem (CID 10519222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).