ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one

C32H56N2O — CID 166129770

About ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one

ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one (PubChem CID 166129770) has the molecular formula C32H56N2O and a molecular weight of 484.81 g/mol. Its IUPAC name is ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one.

Molecular Properties

• Compound Name: ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one
• PubChem CID: 166129770
• Molecular Formula: C32H56N2O
• Molecular Weight: 484.81 g/mol
• Exact Mass: 484.44
• IUPAC Name: ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one
• SMILES: C=C/C=C\C=C(/C)CCN1CCC(N2C(=O)C(CC)CC(=C/C=C)/C2=C\C)CC1.CC.CC.CC
• InChI: InChI=1S/C26H38N2O.3C2H6/c1-6-10-11-13-21(5)14-17-27-18-15-24(16-19-27)28-25(9-4)23(12-7-2)20-22(8-3)26(28)29;3*1-2/h6-7,9-13,22,24H,1-2,8,14-20H2,3-5H3;3*1-2H3/b11-10-,21-13+,23-12-,25-9+
• InChIKey: ARJPWSAGXBKDKA-XHRWHCRWSA-N
• XLogP: 8.88
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.81
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one?

The IUPAC name of ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one (CID 166129770) is ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one.

What is the SMILES notation for ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one?

The canonical SMILES for ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one is C=C/C=C\C=C(/C)CCN1CCC(N2C(=O)C(CC)CC(=C/C=C)/C2=C\C)CC1.CC.CC.CC.

What is the InChIKey of ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one?

The InChIKey is ARJPWSAGXBKDKA-XHRWHCRWSA-N. The full InChI is InChI=1S/C26H38N2O.3C2H6/c1-6-10-11-13-21(5)14-17-27-18-15-24(16-19-27)28-25(9-4)23(12-7-2)20-22(8-3)26(28)29;3*1-2/h6-7,9-13,22,24H,1-2,8,14-20H2,3-5H3;3*1-2H3/b11-10-,21-13+,23-12-,25-9+;;;.

What are the key properties of ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one?

ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one has a molecular weight of 484.81 g/mol, XLogP of 8.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(5Z,6E)-3-ethyl-6-ethylidene-1-[1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-yl]-5-prop-2-enylidenepiperidin-2-one is sourced from PubChem (CID 166129770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).