(6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one

C116H166Cl2N8O16 — CID 157449535

About (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one

(6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one (PubChem CID 157449535) has the molecular formula C116H166Cl2N8O16 and a molecular weight of 1999.55 g/mol. Its IUPAC name is (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one.

Molecular Properties

• Compound Name: (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one
• PubChem CID: 157449535
• Molecular Formula: C116H166Cl2N8O16
• Molecular Weight: 1999.55 g/mol
• Exact Mass: 1997.18
• IUPAC Name: (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one
• SMILES: CCCC1C/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2cc(C)cc(C)c2C(=O)O1.CCCC1C/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(C)cc(C)c2C(=O)O1.CCCC1C/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2cc(C)cc(C)c2C(=O)O1.CCCC1C/C=C/CCCCC(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(C)cc(C)c2C(=O)O1
• InChI: InChI=1S/2C29H41ClN2O4.2C29H42N2O4/c2*1-4-13-24-15-10-7-5-6-9-14-23(31-35-20-26(33)32-16-11-8-12-17-32)19-25-27(29(34)36-24)21(2)18-22(3)28(25)30;2*1-4-13-26-15-10-7-5-6-9-14-25(30-34-21-27(32)31-16-11-8-12-17-31)20-24-19-22(2)18-23(3)28(24)29(33)35-26/h2*7,10,18,24H,4-6,8-9,11-17,19-20H2,1-3H3;2*7,10,18-19,26H,4-6,8-9,11-17,20-21H2,1-3H3/b10-7+,31-23?;10-7+,31-23+;10-7+,30-25+;10-7+,30-25-
• InChIKey: BSQDSVATQJRISO-XJSJPIMNSA-N
• XLogP: 25.61
• TPSA: 272.80 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.55
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one?

The IUPAC name of (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one (CID 157449535) is (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one.

What is the SMILES notation for (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one?

The canonical SMILES for (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one is CCCC1C/C=C/CCCC/C(=N/OCC(=O)N2CCCCC2)Cc2cc(C)cc(C)c2C(=O)O1.CCCC1C/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2c(Cl)c(C)cc(C)c2C(=O)O1.CCCC1C/C=C/CCCC/C(=N\OCC(=O)N2CCCCC2)Cc2cc(C)cc(C)c2C(=O)O1.CCCC1C/C=C/CCCCC(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(C)cc(C)c2C(=O)O1.

What is the InChIKey of (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one?

The InChIKey is BSQDSVATQJRISO-XJSJPIMNSA-N. The full InChI is InChI=1S/2C29H41ClN2O4.2C29H42N2O4/c2*1-4-13-24-15-10-7-5-6-9-14-23(31-35-20-26(33)32-16-11-8-12-17-32)19-25-27(29(34)36-24)21(2)18-22(3)28(25)30;2*1-4-13-26-15-10-7-5-6-9-14-25(30-34-21-27(32)31-16-11-8-12-17-31)20-24-19-22(2)18-23(3)28(24)29(33)35-26/h2*7,10,18,24H,4-6,8-9,11-17,19-20H2,1-3H3;2*7,10,18-19,26H,4-6,8-9,11-17,20-21H2,1-3H3/b10-7+,31-23?;10-7+,31-23+;10-7+,30-25+;10-7+,30-25-.

What are the key properties of (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one?

(6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one has a molecular weight of 1999.55 g/mol, XLogP of 25.61, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,12Z)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraen-2-one;(6E,12Z)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one;(6E,12E)-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,14,16-tetraen-2-one is sourced from PubChem (CID 157449535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).