bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)

C142H196Cl6N10O29 — CID 159667471

IUPACbis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)
SMILESC=CCCl.C=CCOC.C=CCOC.CC.CO.CO.CO.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.O=C1OCC/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OCC/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21
InChIInChI=1S/3C26H33ClN2O4.2C24H29ClN2O6.2C4H8O.C3H5Cl.C2H6.3CH4O/c3*1-19-16-20(2)25(27)22-17-21(28-33-18-23(30)29-13-9-7-10-14-29)12-8-5-3-4-6-11-15-32-26(31)24(19)22;2*25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29;2*1-3-4-5-2;1-2-3-4;4*1-2/h3*4,6,8,12,16H,3,5,7,9-11,13-15,17-18H2,1-2H3;2*2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2;2*3H,1,4H2,2H3;2H,1,3H2;1-2H3;3*2H,1H3/b3*6-4+,12-8+,28-21?;2*4-2+,10-6+,26-17?;;;;;;;
InChIKeyMTPBJIGHWBCFDK-HSOIHKFNSA-N
MW2719.89 g/mol
LogP27.18
Rot. Bonds20

About bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)

bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene) (PubChem CID 159667471) has the molecular formula C142H196Cl6N10O29 and a molecular weight of 2719.89 g/mol. Its IUPAC name is bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene).

Molecular Properties

Compound Namebis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)
PubChem CID159667471
Molecular FormulaC142H196Cl6N10O29
Molecular Weight2719.89 g/mol
Exact Mass2715.23
IUPAC Namebis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)
SMILESC=CCCl.C=CCOC.C=CCOC.CC.CO.CO.CO.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.O=C1OCC/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OCC/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21
InChIInChI=1S/3C26H33ClN2O4.2C24H29ClN2O6.2C4H8O.C3H5Cl.C2H6.3CH4O/c3*1-19-16-20(2)25(27)22-17-21(28-33-18-23(30)29-13-9-7-10-14-29)12-8-5-3-4-6-11-15-32-26(31)24(19)22;2*25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29;2*1-3-4-5-2;1-2-3-4;4*1-2/h3*4,6,8,12,16H,3,5,7,9-11,13-15,17-18H2,1-2H3;2*2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2;2*3H,1,4H2,2H3;2H,1,3H2;1-2H3;3*2H,1H3/b3*6-4+,12-8+,28-21?;2*4-2+,10-6+,26-17?;;;;;;;
InChIKeyMTPBJIGHWBCFDK-HSOIHKFNSA-N
XLogP27.18
TPSA501.07 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds20
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002719.89
LogP ≤ 527.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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'}

Analyze bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene) with MolForge

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Launch Full Analysis

Related Compounds

bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)
CID 158139252
(6E,10E,12Z)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-8-prop-2-enoxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421991
(6E,10E,12E)-15,16,18-trimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 58373410
(6E)-15-chloro-16,18-dimethyl-12-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 123199864
(6E,12Z)-15-chloro-16,18-dimethyl-12-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 123434854
(6E,10E,12Z)-15-chloro-16,18-dimethyl-12-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373444
(6E,10E,12E)-15-chloro-8,16,18-trimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373226
(6E,10E,12Z)-15-chloro-12-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]imino-16-hydroxy-18-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 89167139
(5E,9E,11E)-14-chloro-17-ethyl-15-hydroxy-11-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[11.4.0]heptadeca-1(13),5,9,14,16-pentaen-2-one
CID 143836003
(6E,10E,12Z)-15-chloro-16,18-dihydroxy-12-(2-hydroxy-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 138492068
(6E,10E,12E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-azabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58373256
(6E,10E,12E)-12-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]imino-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421974

Frequently Asked Questions

What is the IUPAC name of bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)?
The IUPAC name of bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene) (CID 159667471) is bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene).
What is the SMILES notation for bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)?
The canonical SMILES for bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene) is C=CCCl.C=CCOC.C=CCOC.CC.CO.CO.CO.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.Cc1cc(C)c2c(c1Cl)CC(=NOCC(=O)N1CCCCC1)/C=C/CC/C=C/CCOC2=O.O=C1OCC/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.O=C1OCC/C=C/CC/C=C/C(=NOCC(=O)N2CCCCC2)Cc2c(Cl)c(O)cc(O)c21.
What is the InChIKey of bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)?
The InChIKey is MTPBJIGHWBCFDK-HSOIHKFNSA-N. The full InChI is InChI=1S/3C26H33ClN2O4.2C24H29ClN2O6.2C4H8O.C3H5Cl.C2H6.3CH4O/c3*1-19-16-20(2)25(27)22-17-21(28-33-18-23(30)29-13-9-7-10-14-29)12-8-5-3-4-6-11-15-32-26(31)24(19)22;2*25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29;2*1-3-4-5-2;1-2-3-4;4*1-2/h3*4,6,8,12,16H,3,5,7,9-11,13-15,17-18H2,1-2H3;2*2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2;2*3H,1,4H2,2H3;2H,1,3H2;1-2H3;3*2H,1H3/b3*6-4+,12-8+,28-21?;2*4-2+,10-6+,26-17?;;;;;;;.
What are the key properties of bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene)?
bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene) has a molecular weight of 2719.89 g/mol, XLogP of 27.18, 20 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis((6E,10E)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);tris((6E,10E)-15-chloro-16,18-dimethyl-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one);3-chloroprop-1-ene;ethane;methanol;bis(3-methoxyprop-1-ene) is sourced from PubChem (CID 159667471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).