(Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide

C24H33NO5Si — CID 134832315

IUPAC(Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide
SMILESCON(C)C(=O)/C=C\[C@@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-18-22(27)21(26)16-17-23(28)25(4)29-5/h6-17,21-22,26-27H,18H2,1-5H3/b17-16-/t21-,22-/m1/s1
InChIKeyFGLQUIANRMRSNB-YTZSHBAOSA-N
MW443.62 g/mol
LogP1.86
Rot. Bonds9

About (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide

(Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide (PubChem CID 134832315) has the molecular formula C24H33NO5Si and a molecular weight of 443.62 g/mol. Its IUPAC name is (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide.

Molecular Properties

Compound Name(Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide
PubChem CID134832315
Molecular FormulaC24H33NO5Si
Molecular Weight443.62 g/mol
Exact Mass443.21
IUPAC Name(Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide
SMILESCON(C)C(=O)/C=C\[C@@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-18-22(27)21(26)16-17-23(28)25(4)29-5/h6-17,21-22,26-27H,18H2,1-5H3/b17-16-/t21-,22-/m1/s1
InChIKeyFGLQUIANRMRSNB-YTZSHBAOSA-N
XLogP1.86
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide?
The IUPAC name of (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide (CID 134832315) is (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide.
What is the SMILES notation for (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide?
The canonical SMILES for (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide is CON(C)C(=O)/C=C\[C@@H](O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide?
The InChIKey is FGLQUIANRMRSNB-YTZSHBAOSA-N. The full InChI is InChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-8-6-9-13-19,20-14-10-7-11-15-20)30-18-22(27)21(26)16-17-23(28)25(4)29-5/h6-17,21-22,26-27H,18H2,1-5H3/b17-16-/t21-,22-/m1/s1.
What are the key properties of (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide?
(Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide has a molecular weight of 443.62 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-4,5-dihydroxy-N-methoxy-N-methylhex-2-enamide is sourced from PubChem (CID 134832315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).