1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane

C152H243BBr3Cl3O12 — CID 158626479

About 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane

1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane (PubChem CID 158626479) has the molecular formula C152H243BBr3Cl3O12 and a molecular weight of 2619.49 g/mol. Its IUPAC name is 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane.

Molecular Properties

• Compound Name: 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane
• PubChem CID: 158626479
• Molecular Formula: C152H243BBr3Cl3O12
• Molecular Weight: 2619.49 g/mol
• Exact Mass: 2613.51
• IUPAC Name: 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane
• SMILES: BrB(Br)Br.C.C.C.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(Cl)CCC1=C(C)C(=O)C(C)=C(C)C1=O.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(Cl)CCc1c(C)c(O)c(C)c(C)c1O.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O.COc1c(C)c(C)c(OC)c(CCC(C)(Cl)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C.COc1c(C)c(C)c(OC)c(CCC(C)(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C
• InChI: InChI=1S/C31H49ClO2.C31H50O3.C29H45ClO2.C29H43ClO2.C29H44O3.3CH4.BBr3/c2*1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-20-31(8,32)21-19-28-27(7)29(33-9)25(5)26(6)30(28)34-10;2*1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,30)19-17-26-25(7)27(31)23(5)24(6)28(26)32;1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31;;;;2-1(3)4/h14,16,18H,11-13,15,17,19-21H2,1-10H3;14,16,18,32H,11-13,15,17,19-21H2,1-10H3;12,14,16,31-32H,9-11,13,15,17-19H2,1-8H3;12,14,16H,9-11,13,15,17-19H2,1-8H3;12,14,16,32H,9-11,13,15,17-19H2,1-8H3;3*1H4;/b2*23-16+,24-18+;3*21-14+,22-16+
• InChIKey: HYQPUIXUGLTTFG-YDHNRBLYSA-N
• XLogP: 47.78
• TPSA: 186.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 64
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2619.49
LogP ≤ 5	47.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane?

The IUPAC name of 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane (CID 158626479) is 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane.

What is the SMILES notation for 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane?

The canonical SMILES for 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane is BrB(Br)Br.C.C.C.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(Cl)CCC1=C(C)C(=O)C(C)=C(C)C1=O.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(Cl)CCc1c(C)c(O)c(C)c(C)c1O.CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O.COc1c(C)c(C)c(OC)c(CCC(C)(Cl)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C.COc1c(C)c(C)c(OC)c(CCC(C)(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1C.

What is the InChIKey of 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane?

The InChIKey is HYQPUIXUGLTTFG-YDHNRBLYSA-N. The full InChI is InChI=1S/C31H49ClO2.C31H50O3.C29H45ClO2.C29H43ClO2.C29H44O3.3CH4.BBr3/c2*1-22(2)14-11-15-23(3)16-12-17-24(4)18-13-20-31(8,32)21-19-28-27(7)29(33-9)25(5)26(6)30(28)34-10;2*1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,30)19-17-26-25(7)27(31)23(5)24(6)28(26)32;1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31;;;;2-1(3)4/h14,16,18H,11-13,15,17,19-21H2,1-10H3;14,16,18,32H,11-13,15,17,19-21H2,1-10H3;12,14,16,31-32H,9-11,13,15,17-19H2,1-8H3;12,14,16H,9-11,13,15,17-19H2,1-8H3;12,14,16,32H,9-11,13,15,17-19H2,1-8H3;3*1H4;/b2*23-16+,24-18+;3*21-14+,22-16+;;;;.

What are the key properties of 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane?

1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane has a molecular weight of 2619.49 g/mol, XLogP of 47.78, 64 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-2,5-dimethoxy-3,4,6-trimethylbenzene;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylbenzene-1,4-diol;2-[(6E,10E)-3-chloro-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;(6E,10E)-1-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trien-3-ol;2-[(6E,10E)-3-hydroxy-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane;tribromoborane is sourced from PubChem (CID 158626479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).