dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol

C144H248O32 — CID 159839424

IUPACdibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol
SMILESCC(C)(C=O)CCCC(O)CCCC(O)CCCC(C)(C)C=O.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)O)C(=O)O.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)Oc1ccccc1)CC(=O)Oc1ccccc1.CC(C)(CO)CCCC(O)CCCC(O)CCCC(C)(C)CO.COC(=O)C(C)(C)CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OC
InChIInChI=1S/C34H50O6.C32H46O6.C21H40O6.C19H36O6.C19H40O4.C19H36O4/c1-33(2,24-31(37)39-25-27-14-7-5-8-15-27)22-12-20-29(35)18-11-19-30(36)21-13-23-34(3,4)32(38)40-26-28-16-9-6-10-17-28;1-31(2,24-29(35)37-27-18-7-5-8-19-27)22-12-16-25(33)14-11-15-26(34)17-13-23-32(3,4)30(36)38-28-20-9-6-10-21-28;1-20(2,18(24)26-5)14-8-12-16(22)10-7-11-17(23)13-9-15-21(3,4)19(25)27-6;1-18(2,16(22)23)12-6-10-14(20)8-5-9-15(21)11-7-13-19(3,4)17(24)25;2*1-18(2,14-20)12-6-10-16(22)8-5-9-17(23)11-7-13-19(3,4)15-21/h5-10,14-17,29-30,35-36H,11-13,18-26H2,1-4H3;5-10,18-21,25-26,33-34H,11-17,22-24H2,1-4H3;16-17,22-23H,7-15H2,1-6H3;14-15,20-21H,5-13H2,1-4H3,(H,22,23)(H,24,25);16-17,20-23H,5-15H2,1-4H3;14-17,22-23H,5-13H2,1-4H3
InChIKeyNOMKOBDYUXGLQT-UHFFFAOYSA-N
MW2491.54 g/mol
LogP28.00
Rot. Bonds92

About dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol

dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol (PubChem CID 159839424) has the molecular formula C144H248O32 and a molecular weight of 2491.54 g/mol. Its IUPAC name is dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol.

Molecular Properties

Compound Namedibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol
PubChem CID159839424
Molecular FormulaC144H248O32
Molecular Weight2491.54 g/mol
Exact Mass2489.78
IUPAC Namedibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol
SMILESCC(C)(C=O)CCCC(O)CCCC(O)CCCC(C)(C)C=O.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)O)C(=O)O.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)Oc1ccccc1)CC(=O)Oc1ccccc1.CC(C)(CO)CCCC(O)CCCC(O)CCCC(C)(C)CO.COC(=O)C(C)(C)CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OC
InChIInChI=1S/C34H50O6.C32H46O6.C21H40O6.C19H36O6.C19H40O4.C19H36O4/c1-33(2,24-31(37)39-25-27-14-7-5-8-15-27)22-12-20-29(35)18-11-19-30(36)21-13-23-34(3,4)32(38)40-26-28-16-9-6-10-17-28;1-31(2,24-29(35)37-27-18-7-5-8-19-27)22-12-16-25(33)14-11-15-26(34)17-13-23-32(3,4)30(36)38-28-20-9-6-10-21-28;1-20(2,18(24)26-5)14-8-12-16(22)10-7-11-17(23)13-9-15-21(3,4)19(25)27-6;1-18(2,16(22)23)12-6-10-14(20)8-5-9-15(21)11-7-13-19(3,4)17(24)25;2*1-18(2,14-20)12-6-10-16(22)8-5-9-17(23)11-7-13-19(3,4)15-21/h5-10,14-17,29-30,35-36H,11-13,18-26H2,1-4H3;5-10,18-21,25-26,33-34H,11-17,22-24H2,1-4H3;16-17,22-23H,7-15H2,1-6H3;14-15,20-21H,5-13H2,1-4H3,(H,22,23)(H,24,25);16-17,20-23H,5-15H2,1-4H3;14-17,22-23H,5-13H2,1-4H3
InChIKeyNOMKOBDYUXGLQT-UHFFFAOYSA-N
XLogP28.00
TPSA549.76 Ų
H-Bond Donors16
H-Bond Acceptors30
Rotatable Bonds92
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002491.54
LogP ≤ 528.00
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol with MolForge

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Related Compounds

benzyl 8-hydroxy-2,2,14,14-tetramethyl-15-oxohexadecanoate;diphenyl 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
CID 91144765
benzyl 6-[3-(4,4-dimethyl-6-oxo-6-phenylmethoxyhexyl)sulfanylpropylsulfanyl]-3,3-dimethylhexanoate
CID 20633601
benzyl 2,2-dimethyl-5-oxopentanoate
CID 86616388
phenyl 3,3-dimethyl-4-oxobutanoate
CID 162705347
benzyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 165018733
6-[(5,5-dimethyl-6-oxo-6-phenylmethoxyhexyl)carbamothioylamino]-2,2-dimethylhexanoic acid
CID 87985214
6-[3-(4,4-dimethyl-5-oxo-5-phenoxypentyl)sulfanylpropylsulfanyl]-3,3-dimethylhexanoic acid
CID 141186602
benzyl 3,3-dimethylhept-6-enoate
CID 158520959
dibenzyl 2,2,12,12-tetramethyl-5,9-dioxotridecanedioate
CID 10185803
4-[2-(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)sulfinylethylsulfinyl]-2,2-dimethylbutanoic acid
CID 18752649
benzyl 3,3-dimethoxybutanoate
CID 134185532
benzyl 3,3,4-trimethylpentanoate
CID 162413973

Frequently Asked Questions

What is the IUPAC name of dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol?
The IUPAC name of dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol (CID 159839424) is dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol.
What is the SMILES notation for dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol?
The canonical SMILES for dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol is CC(C)(C=O)CCCC(O)CCCC(O)CCCC(C)(C)C=O.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)O)C(=O)O.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OCc1ccccc1)CC(=O)OCc1ccccc1.CC(C)(CCCC(O)CCCC(O)CCCC(C)(C)C(=O)Oc1ccccc1)CC(=O)Oc1ccccc1.CC(C)(CO)CCCC(O)CCCC(O)CCCC(C)(C)CO.COC(=O)C(C)(C)CCCC(O)CCCC(O)CCCC(C)(C)C(=O)OC.
What is the InChIKey of dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol?
The InChIKey is NOMKOBDYUXGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50O6.C32H46O6.C21H40O6.C19H36O6.C19H40O4.C19H36O4/c1-33(2,24-31(37)39-25-27-14-7-5-8-15-27)22-12-20-29(35)18-11-19-30(36)21-13-23-34(3,4)32(38)40-26-28-16-9-6-10-17-28;1-31(2,24-29(35)37-27-18-7-5-8-19-27)22-12-16-25(33)14-11-15-26(34)17-13-23-32(3,4)30(36)38-28-20-9-6-10-21-28;1-20(2,18(24)26-5)14-8-12-16(22)10-7-11-17(23)13-9-15-21(3,4)19(25)27-6;1-18(2,16(22)23)12-6-10-14(20)8-5-9-15(21)11-7-13-19(3,4)17(24)25;2*1-18(2,14-20)12-6-10-16(22)8-5-9-17(23)11-7-13-19(3,4)15-21/h5-10,14-17,29-30,35-36H,11-13,18-26H2,1-4H3;5-10,18-21,25-26,33-34H,11-17,22-24H2,1-4H3;16-17,22-23H,7-15H2,1-6H3;14-15,20-21H,5-13H2,1-4H3,(H,22,23)(H,24,25);16-17,20-23H,5-15H2,1-4H3;14-17,22-23H,5-13H2,1-4H3.
What are the key properties of dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol?
dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol has a molecular weight of 2491.54 g/mol, XLogP of 28.00, 92 rotatable bonds, 16 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedial;6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioic acid;dimethyl 6,10-dihydroxy-2,2,14,14-tetramethylpentadecanedioate;diphenyl 6,10-dihydroxy-2,2,14,14-tetramethylhexadecanedioate;2,2,14,14-tetramethylpentadecane-1,6,10,15-tetrol is sourced from PubChem (CID 159839424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).