hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate

C150H134N2O37 — CID 159126296

IUPAChexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate
SMILESC#CC(O)C#CCC(C)(CC#CC#Cc1cc2ccc3cccc4ccc(c1)c2c34)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccc(C)cc1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1cccc([N+](=O)[O-])c1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccccc1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccccc1[N+](=O)[O-])C(=O)OC.C#CCC(C)(CC#CC(O)(C#C)C(C)(C)C)C(=O)OC.C#CCC(C)(CC#CC(O)(C#C)c1ccccc1)C(=O)OC.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C31H22O3.C20H20O3.2C19H17NO5.2C19H18O3.C17H22O3.6CO2/c1-4-27(32)13-9-19-31(2,30(33)34-3)18-7-5-6-10-22-20-25-16-14-23-11-8-12-24-15-17-26(21-22)29(25)28(23)24;1-5-18(21)9-7-15-20(3,19(22)23-4)14-6-8-17-12-10-16(2)11-13-17;1-4-17(21)11-7-13-19(2,18(22)25-3)12-6-9-15-8-5-10-16(14-15)20(23)24;1-4-16(21)11-8-14-19(2,18(22)25-3)13-7-10-15-9-5-6-12-17(15)20(23)24;1-5-13-18(3,17(20)22-4)14-10-15-19(21,6-2)16-11-8-7-9-12-16;1-4-17(20)13-9-15-19(2,18(21)22-3)14-8-12-16-10-6-5-7-11-16;1-8-11-16(6,14(18)20-7)12-10-13-17(19,9-2)15(3,4)5;6*2-1-3/h1,8,11-12,14-17,20-21,27,32H,18-19H2,2-3H3;1,10-13,18,21H,14-15H2,2-4H3;1,5,8,10,14,17,21H,12-13H2,2-3H3;1,5-6,9,12,16,21H,13-14H2,2-3H3;1-2,7-9,11-12,21H,13-14H2,3-4H3;1,5-7,10-11,17,20H,14-15H2,2-3H3;1-2,19H,11-12H2,3-7H3;;;;;;
InChIKeyKGHYFZQMDKLMKC-UHFFFAOYSA-N
MW2556.70 g/mol
LogP13.60
Rot. Bonds24

About hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate

hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate (PubChem CID 159126296) has the molecular formula C150H134N2O37 and a molecular weight of 2556.70 g/mol. Its IUPAC name is hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate.

Molecular Properties

Compound Namehexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate
PubChem CID159126296
Molecular FormulaC150H134N2O37
Molecular Weight2556.70 g/mol
Exact Mass2554.87
IUPAC Namehexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate
SMILESC#CC(O)C#CCC(C)(CC#CC#Cc1cc2ccc3cccc4ccc(c1)c2c34)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccc(C)cc1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1cccc([N+](=O)[O-])c1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccccc1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccccc1[N+](=O)[O-])C(=O)OC.C#CCC(C)(CC#CC(O)(C#C)C(C)(C)C)C(=O)OC.C#CCC(C)(CC#CC(O)(C#C)c1ccccc1)C(=O)OC.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C31H22O3.C20H20O3.2C19H17NO5.2C19H18O3.C17H22O3.6CO2/c1-4-27(32)13-9-19-31(2,30(33)34-3)18-7-5-6-10-22-20-25-16-14-23-11-8-12-24-15-17-26(21-22)29(25)28(23)24;1-5-18(21)9-7-15-20(3,19(22)23-4)14-6-8-17-12-10-16(2)11-13-17;1-4-17(21)11-7-13-19(2,18(22)25-3)12-6-9-15-8-5-10-16(14-15)20(23)24;1-4-16(21)11-8-14-19(2,18(22)25-3)13-7-10-15-9-5-6-12-17(15)20(23)24;1-5-13-18(3,17(20)22-4)14-10-15-19(21,6-2)16-11-8-7-9-12-16;1-4-17(20)13-9-15-19(2,18(21)22-3)14-8-12-16-10-6-5-7-11-16;1-8-11-16(6,14(18)20-7)12-10-13-17(19,9-2)15(3,4)5;6*2-1-3/h1,8,11-12,14-17,20-21,27,32H,18-19H2,2-3H3;1,10-13,18,21H,14-15H2,2-4H3;1,5,8,10,14,17,21H,12-13H2,2-3H3;1,5-6,9,12,16,21H,13-14H2,2-3H3;1-2,7-9,11-12,21H,13-14H2,3-4H3;1,5-7,10-11,17,20H,14-15H2,2-3H3;1-2,19H,11-12H2,3-7H3;;;;;;
InChIKeyKGHYFZQMDKLMKC-UHFFFAOYSA-N
XLogP13.60
TPSA616.83 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002556.70
LogP ≤ 513.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl 2-(4-hydroxyhexa-2,5-diynyl)-2-(7-pyren-2-ylhepta-2,4,6-triynyl)propanedioate
CID 134313586
methyl 3-(2,4-dinitrophenyl)-2,3-dihydroxy-2-phenylpropanoate
CID 141252706
dimethyl 2-[3-(2-ethynylphenyl)prop-2-ynyl]-2-(3-phenylprop-2-ynyl)propanedioate
CID 102296955
4-(2-nitrophenyl)-2-phenylbut-3-yn-2-ol
CID 23345644
methyl 3-[4-[2-(3-nitrophenyl)ethynyl]phenyl]propanoate
CID 58319122
1-(2-methoxyethynyl)-3-nitrobenzene
CID 68825288
methyl 4-(3-methyl-4-nitrophenyl)but-3-ynoate
CID 170469922
4-(3-nitrophenyl)but-3-ynamide
CID 170473123
1-[3-(4-hydroxyphenyl)prop-2-ynyl]-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid
CID 67944176
methyl 2-(3-nitrophenyl)pent-4-ynoate
CID 10059859
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3381074
(3-nitrophenyl)-diphenylmethanol
CID 2936242

Frequently Asked Questions

What is the IUPAC name of hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate?
The IUPAC name of hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate (CID 159126296) is hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate.
What is the SMILES notation for hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate?
The canonical SMILES for hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate is C#CC(O)C#CCC(C)(CC#CC#Cc1cc2ccc3cccc4ccc(c1)c2c34)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccc(C)cc1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1cccc([N+](=O)[O-])c1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccccc1)C(=O)OC.C#CC(O)C#CCC(C)(CC#Cc1ccccc1[N+](=O)[O-])C(=O)OC.C#CCC(C)(CC#CC(O)(C#C)C(C)(C)C)C(=O)OC.C#CCC(C)(CC#CC(O)(C#C)c1ccccc1)C(=O)OC.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate?
The InChIKey is KGHYFZQMDKLMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O3.C20H20O3.2C19H17NO5.2C19H18O3.C17H22O3.6CO2/c1-4-27(32)13-9-19-31(2,30(33)34-3)18-7-5-6-10-22-20-25-16-14-23-11-8-12-24-15-17-26(21-22)29(25)28(23)24;1-5-18(21)9-7-15-20(3,19(22)23-4)14-6-8-17-12-10-16(2)11-13-17;1-4-17(21)11-7-13-19(2,18(22)25-3)12-6-9-15-8-5-10-16(14-15)20(23)24;1-4-16(21)11-8-14-19(2,18(22)25-3)13-7-10-15-9-5-6-12-17(15)20(23)24;1-5-13-18(3,17(20)22-4)14-10-15-19(21,6-2)16-11-8-7-9-12-16;1-4-17(20)13-9-15-19(2,18(21)22-3)14-8-12-16-10-6-5-7-11-16;1-8-11-16(6,14(18)20-7)12-10-13-17(19,9-2)15(3,4)5;6*2-1-3/h1,8,11-12,14-17,20-21,27,32H,18-19H2,2-3H3;1,10-13,18,21H,14-15H2,2-4H3;1,5,8,10,14,17,21H,12-13H2,2-3H3;1,5-6,9,12,16,21H,13-14H2,2-3H3;1-2,7-9,11-12,21H,13-14H2,3-4H3;1,5-7,10-11,17,20H,14-15H2,2-3H3;1-2,19H,11-12H2,3-7H3;;;;;;.
What are the key properties of hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate?
hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate has a molecular weight of 2556.70 g/mol, XLogP of 13.60, 24 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(carbon dioxide);methyl 6-tert-butyl-6-hydroxy-2-methyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(4-methylphenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(2-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-[3-(3-nitrophenyl)prop-2-ynyl]octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(3-phenylprop-2-ynyl)octa-4,7-diynoate;methyl 6-hydroxy-2-methyl-6-phenyl-2-prop-2-ynylocta-4,7-diynoate;methyl 6-hydroxy-2-methyl-2-(5-pyren-2-ylpenta-2,4-diynyl)octa-4,7-diynoate is sourced from PubChem (CID 159126296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).