(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide

C19H37NO3Si — CID 134866005

IUPAC(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C19H37NO3Si/c1-10-15(5)14-16(6)18(17(7)19(21)20(8)22-9)23-24(11-2,12-3)13-4/h10,14,17-18H,11-13H2,1-9H3/b15-10+,16-14+/t17-,18-/m1/s1
InChIKeyQDVUMDWTZWQQMP-VKGZXBFCSA-N
MW355.60 g/mol
LogP4.95
Rot. Bonds10

About (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide

(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide (PubChem CID 134866005) has the molecular formula C19H37NO3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide.

Molecular Properties

Compound Name(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide
PubChem CID134866005
Molecular FormulaC19H37NO3Si
Molecular Weight355.60 g/mol
Exact Mass355.25
IUPAC Name(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide
SMILESC/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)N(C)OC
InChIInChI=1S/C19H37NO3Si/c1-10-15(5)14-16(6)18(17(7)19(21)20(8)22-9)23-24(11-2,12-3)13-4/h10,14,17-18H,11-13H2,1-9H3/b15-10+,16-14+/t17-,18-/m1/s1
InChIKeyQDVUMDWTZWQQMP-VKGZXBFCSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide?
The IUPAC name of (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide (CID 134866005) is (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide.
What is the SMILES notation for (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide?
The canonical SMILES for (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide is C/C=C(C)/C=C(\C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)C(=O)N(C)OC.
What is the InChIKey of (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide?
The InChIKey is QDVUMDWTZWQQMP-VKGZXBFCSA-N. The full InChI is InChI=1S/C19H37NO3Si/c1-10-15(5)14-16(6)18(17(7)19(21)20(8)22-9)23-24(11-2,12-3)13-4/h10,14,17-18H,11-13H2,1-9H3/b15-10+,16-14+/t17-,18-/m1/s1.
What are the key properties of (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide?
(2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide has a molecular weight of 355.60 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4E,6E)-N-methoxy-N,2,4,6-tetramethyl-3-triethylsilyloxyocta-4,6-dienamide is sourced from PubChem (CID 134866005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).