disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate

C59H72Na2O12 — CID 161323536

IUPACdisodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate
SMILESC/C(C=O)=C\C=C\C=C(/C)C=O.C/[C-]=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-].C=C/C=C(\C)C(=O)OC.COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C.O=C=O.O=C=O.[Na+].[Na+]
InChIInChI=1S/C21H28O2.C19H23O2.C10H12O2.C7H10O2.2CO2.2Na/c1-17(2)11-9-14-18(3)12-7-8-13-19(4)15-10-16-20(5)21(22)23-6;1-5-6-7-11-16(2)12-8-9-13-17(3)14-10-15-18(4)19(20)21;1-9(7-11)5-3-4-6-10(2)8-12;1-4-5-6(2)7(8)9-3;2*2-1-3;;/h7-16H,1-6H3;6-15H,1-4H3,(H,20,21);3-8H,1-2H3;4-5H,1H2,2-3H3;;;;/q;-1;;;;;2*+1/p-1/b8-7+,14-9+,15-10+,18-12+,19-13+,20-16+;9-8+,11-7+,14-10+,16-12+,17-13+,18-15+;4-3+,9-5+,10-6+;6-5+;;;;
InChIKeyAUKRGZMTLIZASL-XUXGEVPXSA-M
MW1019.19 g/mol
LogP5.22
Rot. Bonds20

About disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate

disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate (PubChem CID 161323536) has the molecular formula C59H72Na2O12 and a molecular weight of 1019.19 g/mol. Its IUPAC name is disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate.

Molecular Properties

Compound Namedisodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate
PubChem CID161323536
Molecular FormulaC59H72Na2O12
Molecular Weight1019.19 g/mol
Exact Mass1018.48
IUPAC Namedisodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate
SMILESC/C(C=O)=C\C=C\C=C(/C)C=O.C/[C-]=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-].C=C/C=C(\C)C(=O)OC.COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C.O=C=O.O=C=O.[Na+].[Na+]
InChIInChI=1S/C21H28O2.C19H23O2.C10H12O2.C7H10O2.2CO2.2Na/c1-17(2)11-9-14-18(3)12-7-8-13-19(4)15-10-16-20(5)21(22)23-6;1-5-6-7-11-16(2)12-8-9-13-17(3)14-10-15-18(4)19(20)21;1-9(7-11)5-3-4-6-10(2)8-12;1-4-5-6(2)7(8)9-3;2*2-1-3;;/h7-16H,1-6H3;6-15H,1-4H3,(H,20,21);3-8H,1-2H3;4-5H,1H2,2-3H3;;;;/q;-1;;;;;2*+1/p-1/b8-7+,14-9+,15-10+,18-12+,19-13+,20-16+;9-8+,11-7+,14-10+,16-12+,17-13+,18-15+;4-3+,9-5+,10-6+;6-5+;;;;
InChIKeyAUKRGZMTLIZASL-XUXGEVPXSA-M
XLogP5.22
TPSA195.15 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001019.19
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate?
The IUPAC name of disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate (CID 161323536) is disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate.
What is the SMILES notation for disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate?
The canonical SMILES for disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate is C/C(C=O)=C\C=C\C=C(/C)C=O.C/[C-]=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)[O-].C=C/C=C(\C)C(=O)OC.COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)C.O=C=O.O=C=O.[Na+].[Na+].
What is the InChIKey of disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate?
The InChIKey is AUKRGZMTLIZASL-XUXGEVPXSA-M. The full InChI is InChI=1S/C21H28O2.C19H23O2.C10H12O2.C7H10O2.2CO2.2Na/c1-17(2)11-9-14-18(3)12-7-8-13-19(4)15-10-16-20(5)21(22)23-6;1-5-6-7-11-16(2)12-8-9-13-17(3)14-10-15-18(4)19(20)21;1-9(7-11)5-3-4-6-10(2)8-12;1-4-5-6(2)7(8)9-3;2*2-1-3;;/h7-16H,1-6H3;6-15H,1-4H3,(H,20,21);3-8H,1-2H3;4-5H,1H2,2-3H3;;;;/q;-1;;;;;2*+1/p-1/b8-7+,14-9+,15-10+,18-12+,19-13+,20-16+;9-8+,11-7+,14-10+,16-12+,17-13+,18-15+;4-3+,9-5+,10-6+;6-5+;;;;.
What are the key properties of disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate?
disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate has a molecular weight of 1019.19 g/mol, XLogP of 5.22, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(carbon dioxide);(2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial;methyl (2E)-2-methylpenta-2,4-dienoate;methyl (2E,4E,6E,8E,10E,12E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenoate;(2E,4E,6E,8E,10E,12E)-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoate is sourced from PubChem (CID 161323536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).