(2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide

C24H37Cl2NO6 — CID 10255629

About (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide

(2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide (PubChem CID 10255629) has the molecular formula C24H37Cl2NO6 and a molecular weight of 506.47 g/mol. Its IUPAC name is (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide
• PubChem CID: 10255629
• Molecular Formula: C24H37Cl2NO6
• Molecular Weight: 506.47 g/mol
• Exact Mass: 505.20
• IUPAC Name: (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide
• SMILES: CCCCCCC(C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1OC)[C@H](O)[C@@H](Cl)C(=O)[C@H](Cl)[C@H]2O
• InChI: InChI=1S/C24H37Cl2NO6/c1-5-6-7-8-9-14(2)12-15(3)10-11-17(28)27-16-13-24(33-23(16)32-4)21(30)18(25)20(29)19(26)22(24)31/h10-12,14,16,18-19,21-23,30-31H,5-9,13H2,1-4H3,(H,27,28)/b11-10+,15-12+/t14?,16-,18-,19-,21+,22+,23+/m0/s1
• InChIKey: CFUQAHJWAPYZID-QOCKTNANSA-N
• XLogP: 3.23
• TPSA: 105.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.47
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide?

The IUPAC name of (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide (CID 10255629) is (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide.

What is the SMILES notation for (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide?

The canonical SMILES for (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide is CCCCCCC(C)/C=C(C)/C=C/C(=O)N[C@H]1CC2(O[C@H]1OC)[C@H](O)[C@@H](Cl)C(=O)[C@H](Cl)[C@H]2O.

What is the InChIKey of (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide?

The InChIKey is CFUQAHJWAPYZID-QOCKTNANSA-N. The full InChI is InChI=1S/C24H37Cl2NO6/c1-5-6-7-8-9-14(2)12-15(3)10-11-17(28)27-16-13-24(33-23(16)32-4)21(30)18(25)20(29)19(26)22(24)31/h10-12,14,16,18-19,21-23,30-31H,5-9,13H2,1-4H3,(H,27,28)/b11-10+,15-12+/t14?,16-,18-,19-,21+,22+,23+/m0/s1.

What are the key properties of (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide?

(2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide has a molecular weight of 506.47 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-N-[(2R,3S,6S,7R,9R,10S)-7,9-dichloro-6,10-dihydroxy-2-methoxy-8-oxo-1-oxaspiro[4.5]decan-3-yl]-4,6-dimethyldodeca-2,4-dienamide is sourced from PubChem (CID 10255629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).