(NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine

C30H56N2O12 — CID 172956935

About (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine

(NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine (PubChem CID 172956935) has the molecular formula C30H56N2O12 and a molecular weight of 636.78 g/mol. Its IUPAC name is (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine
• PubChem CID: 172956935
• Molecular Formula: C30H56N2O12
• Molecular Weight: 636.78 g/mol
• Exact Mass: 636.38
• IUPAC Name: (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine
• SMILES: C=CCCOCCOCC(COCCOCC(COCCOCC/C=N\O)OCCOCC/C=N\O)OCCOCCC=C
• InChI: InChI=1S/C30H56N2O12/c1-3-5-11-35-15-17-39-25-29(43-23-21-36-12-6-4-2)27-41-19-20-42-28-30(44-24-22-38-14-8-10-32-34)26-40-18-16-37-13-7-9-31-33/h3-4,9-10,29-30,33-34H,1-2,5-8,11-28H2/b31-9-,32-10-
• InChIKey: LFKQTHGAHZFUGY-QIDQXIIVSA-N
• XLogP: 2.74
• TPSA: 157.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 37
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.78
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine?

The IUPAC name of (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine (CID 172956935) is (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine.

What is the SMILES notation for (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine?

The canonical SMILES for (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine is C=CCCOCCOCC(COCCOCC(COCCOCC/C=N\O)OCCOCC/C=N\O)OCCOCCC=C.

What is the InChIKey of (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine?

The InChIKey is LFKQTHGAHZFUGY-QIDQXIIVSA-N. The full InChI is InChI=1S/C30H56N2O12/c1-3-5-11-35-15-17-39-25-29(43-23-21-36-12-6-4-2)27-41-19-20-42-28-30(44-24-22-38-14-8-10-32-34)26-40-18-16-37-13-7-9-31-33/h3-4,9-10,29-30,33-34H,1-2,5-8,11-28H2/b31-9-,32-10-.

What are the key properties of (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine?

(NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine has a molecular weight of 636.78 g/mol, XLogP of 2.74, 37 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (NZ)-N-[3-[2-[1-[2-[2,3-bis(2-but-3-enoxyethoxy)propoxy]ethoxy]-3-[2-[(3Z)-3-hydroxyiminopropoxy]ethoxy]propan-2-yl]oxyethoxy]propylidene]hydroxylamine is sourced from PubChem (CID 172956935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).