(E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide

C27H39NO4Si — CID 134878394

IUPAC(E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
SMILESCON(C)C(=O)/C=C/[C@@H](C)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-21(18-19-25(29)28(6)31-7)26(30)22(2)20-32-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-19,21-22,26,30H,20H2,1-7H3/b19-18+/t21-,22-,26-/m1/s1
InChIKeyWIHDZMRNHJNLCG-NFMWESSBSA-N
MW469.70 g/mol
LogP3.77
Rot. Bonds10

About (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide

(E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide (PubChem CID 134878394) has the molecular formula C27H39NO4Si and a molecular weight of 469.70 g/mol. Its IUPAC name is (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide.

Molecular Properties

Compound Name(E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
PubChem CID134878394
Molecular FormulaC27H39NO4Si
Molecular Weight469.70 g/mol
Exact Mass469.26
IUPAC Name(E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
SMILESCON(C)C(=O)/C=C/[C@@H](C)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO4Si/c1-21(18-19-25(29)28(6)31-7)26(30)22(2)20-32-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-19,21-22,26,30H,20H2,1-7H3/b19-18+/t21-,22-,26-/m1/s1
InChIKeyWIHDZMRNHJNLCG-NFMWESSBSA-N
XLogP3.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide?
The IUPAC name of (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide (CID 134878394) is (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide.
What is the SMILES notation for (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide?
The canonical SMILES for (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide is CON(C)C(=O)/C=C/[C@@H](C)[C@@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide?
The InChIKey is WIHDZMRNHJNLCG-NFMWESSBSA-N. The full InChI is InChI=1S/C27H39NO4Si/c1-21(18-19-25(29)28(6)31-7)26(30)22(2)20-32-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-19,21-22,26,30H,20H2,1-7H3/b19-18+/t21-,22-,26-/m1/s1.
What are the key properties of (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide?
(E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide has a molecular weight of 469.70 g/mol, XLogP of 3.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide is sourced from PubChem (CID 134878394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).