(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide

C18H37NO4Si — CID 102100736

IUPAC(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C(=O)N(C)OC
InChIInChI=1S/C18H37NO4Si/c1-9-10-11-12-16(23-24(7,8)18(2,3)4)15(20)13-14-17(21)19(5)22-6/h13-16,20H,9-12H2,1-8H3/b14-13+/t15-,16-/m1/s1
InChIKeyFEXSOEWJOYLCJT-GHAJFHELSA-N
MW359.58 g/mol
LogP3.89
Rot. Bonds10

About (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide

(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide (PubChem CID 102100736) has the molecular formula C18H37NO4Si and a molecular weight of 359.58 g/mol. Its IUPAC name is (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide.

Molecular Properties

Compound Name(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide
PubChem CID102100736
Molecular FormulaC18H37NO4Si
Molecular Weight359.58 g/mol
Exact Mass359.25
IUPAC Name(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide
SMILESCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C(=O)N(C)OC
InChIInChI=1S/C18H37NO4Si/c1-9-10-11-12-16(23-24(7,8)18(2,3)4)15(20)13-14-17(21)19(5)22-6/h13-16,20H,9-12H2,1-8H3/b14-13+/t15-,16-/m1/s1
InChIKeyFEXSOEWJOYLCJT-GHAJFHELSA-N
XLogP3.89
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E,4R,5R)-4,5-dihydroxy-N-methoxy-N-methyldec-2-enamide
CID 134859320

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide?
The IUPAC name of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide (CID 102100736) is (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide.
What is the SMILES notation for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide?
The canonical SMILES for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide is CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)/C=C/C(=O)N(C)OC.
What is the InChIKey of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide?
The InChIKey is FEXSOEWJOYLCJT-GHAJFHELSA-N. The full InChI is InChI=1S/C18H37NO4Si/c1-9-10-11-12-16(23-24(7,8)18(2,3)4)15(20)13-14-17(21)19(5)22-6/h13-16,20H,9-12H2,1-8H3/b14-13+/t15-,16-/m1/s1.
What are the key properties of (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide?
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide has a molecular weight of 359.58 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N-methyldec-2-enamide is sourced from PubChem (CID 102100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).