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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane

C119H200Cl4O8 — CID 158061998

About 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane

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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane (PubChem CID 158061998) has the molecular formula C119H200Cl4O8 and a molecular weight of 1900.71 g/mol. Its IUPAC name is 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane.

Molecular Properties

• Compound Name: 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane
• PubChem CID: 158061998
• Molecular Formula: C119H200Cl4O8
• Molecular Weight: 1900.71 g/mol
• Exact Mass: 1897.40
• IUPAC Name: 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane
• SMILES: 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.CC1=C(C)C(=O)C(CCC(C)(Cl)CCCC(C)CCCC(C)CCCC(C)C)=C(C)C1=O.Cc1c(C)c(O)c(CCC(C)(Cl)CCCC(C)CCCC(C)CCCC(C)C)c(C)c1O
• InChI: InChI=1S/C29H51ClO2.C29H49ClO2.C29H45ClO2.C29H43ClO2.3CH4/c4*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;;;/h20-22,31-32H,9-19H2,1-8H3;20-22H,9-19H2,1-8H3;12,14,16,31-32H,9-11,13,15,17-19H2,1-8H3;12,14,16H,9-11,13,15,17-19H2,1-8H3;3*1H4/b;;2*21-14+,22-16+
• InChIKey: FKTOZCFFOWEWAE-NNPKYZTLSA-N
• XLogP: 38.23
• TPSA: 149.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 54
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1900.71
LogP ≤ 5	38.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

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': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane?

The IUPAC name of 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane (CID 158061998) is 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane.

What is the SMILES notation for 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane?

The canonical SMILES for 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane is 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.CC1=C(C)C(=O)C(CCC(C)(Cl)CCCC(C)CCCC(C)CCCC(C)C)=C(C)C1=O.Cc1c(C)c(O)c(CCC(C)(Cl)CCCC(C)CCCC(C)CCCC(C)C)c(C)c1O.

What is the InChIKey of 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane?

The InChIKey is FKTOZCFFOWEWAE-NNPKYZTLSA-N. The full InChI is InChI=1S/C29H51ClO2.C29H49ClO2.C29H45ClO2.C29H43ClO2.3CH4/c4*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;;;/h20-22,31-32H,9-19H2,1-8H3;20-22H,9-19H2,1-8H3;12,14,16,31-32H,9-11,13,15,17-19H2,1-8H3;12,14,16H,9-11,13,15,17-19H2,1-8H3;3*1H4/b;;2*21-14+,22-16+;;;.

What are the key properties of 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane?

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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane has a molecular weight of 1900.71 g/mol, XLogP of 38.23, 54 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylbenzene-1,4-diol;2-(3-chloro-3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione;methane is sourced from PubChem (CID 158061998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).