bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C212H420O73S4 — CID 158675289

IUPACbis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESC.C.CC(C)C(OC(=O)CC(SOOO)C(=O)OC(C(C)C)C(C)C)C(C)C.CC(C)CC(C)OC(=O)CC(SOOO)C(=O)OC(C)CC(C)C.CC(C)CCOC(=O)CC(SOOO)C(=O)OCCC(C)C.CCCCC(C)OC(=O)CC(SOOO)C(=O)OC(C)CCCC.CCCCCCCC(CCCCCC)OCCOCCOCCOCC(=O)O.CCCCCCCCCCCCC(C)OCCOCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C28H56O9.C27H54O9.C25H50O8.C23H46O7.C22H44O6.C21H42O6.C18H34O7S.2C16H30O7S.C14H26O7S.2CH4/c1-3-4-5-6-7-8-9-10-11-12-13-27(2)37-25-24-35-21-20-33-17-16-31-14-15-32-18-19-34-22-23-36-26-28(29)30;1-2-3-4-5-6-7-8-9-10-11-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-22-23-35-24-25-36-26-27(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27;1-2-3-4-5-6-7-8-9-10-11-12-13-26-14-15-27-16-17-28-18-19-29-20-21-30-22-23(24)25;1-3-5-7-9-11-13-21(12-10-8-6-4-2)28-19-18-26-15-14-25-16-17-27-20-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-24-14-15-25-16-17-26-18-19-27-20-21(22)23;1-10(2)16(11(3)4)22-15(19)9-14(26-25-24-21)18(20)23-17(12(5)6)13(7)8;1-10(2)7-12(5)20-15(17)9-14(24-23-22-19)16(18)21-13(6)8-11(3)4;1-5-7-9-12(3)20-15(17)11-14(24-23-22-19)16(18)21-13(4)10-8-6-2;1-10(2)5-7-18-13(15)9-12(22-21-20-17)14(16)19-8-6-11(3)4;;/h27H,3-26H2,1-2H3,(H,29,30);2-26H2,1H3,(H,28,29);2-24H2,1H3,(H,26,27);2-22H2,1H3,(H,24,25);21H,3-20H2,1-2H3,(H,23,24);2-20H2,1H3,(H,22,23);10-14,16-17,21H,9H2,1-8H3;10-14,19H,7-9H2,1-6H3;12-14,19H,5-11H2,1-4H3;10-12,17H,5-9H2,1-4H3;2*1H4
InChIKeyIEKYSBWOBZOKKH-UHFFFAOYSA-N
MW4265.89 g/mol
LogP43.97
Rot. Bonds215

About bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 158675289) has the molecular formula C212H420O73S4 and a molecular weight of 4265.89 g/mol. Its IUPAC name is bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Namebis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID158675289
Molecular FormulaC212H420O73S4
Molecular Weight4265.89 g/mol
Exact Mass4262.80
IUPAC Namebis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESC.C.CC(C)C(OC(=O)CC(SOOO)C(=O)OC(C(C)C)C(C)C)C(C)C.CC(C)CC(C)OC(=O)CC(SOOO)C(=O)OC(C)CC(C)C.CC(C)CCOC(=O)CC(SOOO)C(=O)OCCC(C)C.CCCCC(C)OC(=O)CC(SOOO)C(=O)OC(C)CCCC.CCCCCCCC(CCCCCC)OCCOCCOCCOCC(=O)O.CCCCCCCCCCCCC(C)OCCOCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C28H56O9.C27H54O9.C25H50O8.C23H46O7.C22H44O6.C21H42O6.C18H34O7S.2C16H30O7S.C14H26O7S.2CH4/c1-3-4-5-6-7-8-9-10-11-12-13-27(2)37-25-24-35-21-20-33-17-16-31-14-15-32-18-19-34-22-23-36-26-28(29)30;1-2-3-4-5-6-7-8-9-10-11-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-22-23-35-24-25-36-26-27(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27;1-2-3-4-5-6-7-8-9-10-11-12-13-26-14-15-27-16-17-28-18-19-29-20-21-30-22-23(24)25;1-3-5-7-9-11-13-21(12-10-8-6-4-2)28-19-18-26-15-14-25-16-17-27-20-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-24-14-15-25-16-17-26-18-19-27-20-21(22)23;1-10(2)16(11(3)4)22-15(19)9-14(26-25-24-21)18(20)23-17(12(5)6)13(7)8;1-10(2)7-12(5)20-15(17)9-14(24-23-22-19)16(18)21-13(6)8-11(3)4;1-5-7-9-12(3)20-15(17)11-14(24-23-22-19)16(18)21-13(4)10-8-6-2;1-10(2)5-7-18-13(15)9-12(22-21-20-17)14(16)19-8-6-11(3)4;;/h27H,3-26H2,1-2H3,(H,29,30);2-26H2,1H3,(H,28,29);2-24H2,1H3,(H,26,27);2-22H2,1H3,(H,24,25);21H,3-20H2,1-2H3,(H,23,24);2-20H2,1H3,(H,22,23);10-14,16-17,21H,9H2,1-8H3;10-14,19H,7-9H2,1-6H3;12-14,19H,5-11H2,1-4H3;10-12,17H,5-9H2,1-4H3;2*1H4
InChIKeyIEKYSBWOBZOKKH-UHFFFAOYSA-N
XLogP43.97
TPSA893.55 Ų
H-Bond Donors10
H-Bond Acceptors71
Rotatable Bonds215
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004265.89
LogP ≤ 543.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

4-O-(2-butoxyethyl) 1-O-hexyl 2-(trioxidanylsulfanyl)butanedioate
CID 59791310
4-O-octyl 1-O-pentyl 2-(trioxidanylsulfanyl)butanedioate
CID 59991553
bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate
CID 21028529
diheptan-3-yl 2-(trioxidanylsulfanyl)butanedioate
CID 18339445
sodium 4-O-decyl 1-O-(3-methylbutyl) 2-oxidoperoxysulfanylbutanedioate
CID 22892681
4-O-octyl 1-O-(3,3,4,4,4-pentafluorobutyl) 2-(trioxidanylsulfanyl)butanedioate
CID 20783195
octan-2-yl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121469926
octan-2-yl 4-(2-nonoxyethoxy)butanoate
CID 121469741
heptan-2-yl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470189
heptan-2-yl 4-[2-(2-heptoxyethoxy)ethoxy]butanoate
CID 121470234
octan-2-yl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469685
heptan-2-yl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469872

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 158675289) is bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is C.C.CC(C)C(OC(=O)CC(SOOO)C(=O)OC(C(C)C)C(C)C)C(C)C.CC(C)CC(C)OC(=O)CC(SOOO)C(=O)OC(C)CC(C)C.CC(C)CCOC(=O)CC(SOOO)C(=O)OCCC(C)C.CCCCC(C)OC(=O)CC(SOOO)C(=O)OC(C)CCCC.CCCCCCCC(CCCCCC)OCCOCCOCCOCC(=O)O.CCCCCCCCCCCCC(C)OCCOCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)O.CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCC(=O)O.
What is the InChIKey of bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is IEKYSBWOBZOKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O9.C27H54O9.C25H50O8.C23H46O7.C22H44O6.C21H42O6.C18H34O7S.2C16H30O7S.C14H26O7S.2CH4/c1-3-4-5-6-7-8-9-10-11-12-13-27(2)37-25-24-35-21-20-33-17-16-31-14-15-32-18-19-34-22-23-36-26-28(29)30;1-2-3-4-5-6-7-8-9-10-11-12-13-30-14-15-31-16-17-32-18-19-33-20-21-34-22-23-35-24-25-36-26-27(28)29;1-2-3-4-5-6-7-8-9-10-11-12-13-28-14-15-29-16-17-30-18-19-31-20-21-32-22-23-33-24-25(26)27;1-2-3-4-5-6-7-8-9-10-11-12-13-26-14-15-27-16-17-28-18-19-29-20-21-30-22-23(24)25;1-3-5-7-9-11-13-21(12-10-8-6-4-2)28-19-18-26-15-14-25-16-17-27-20-22(23)24;1-2-3-4-5-6-7-8-9-10-11-12-13-24-14-15-25-16-17-26-18-19-27-20-21(22)23;1-10(2)16(11(3)4)22-15(19)9-14(26-25-24-21)18(20)23-17(12(5)6)13(7)8;1-10(2)7-12(5)20-15(17)9-14(24-23-22-19)16(18)21-13(6)8-11(3)4;1-5-7-9-12(3)20-15(17)11-14(24-23-22-19)16(18)21-13(4)10-8-6-2;1-10(2)5-7-18-13(15)9-12(22-21-20-17)14(16)19-8-6-11(3)4;;/h27H,3-26H2,1-2H3,(H,29,30);2-26H2,1H3,(H,28,29);2-24H2,1H3,(H,26,27);2-22H2,1H3,(H,24,25);21H,3-20H2,1-2H3,(H,23,24);2-20H2,1H3,(H,22,23);10-14,16-17,21H,9H2,1-8H3;10-14,19H,7-9H2,1-6H3;12-14,19H,5-11H2,1-4H3;10-12,17H,5-9H2,1-4H3;2*1H4.
What are the key properties of bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 4265.89 g/mol, XLogP of 43.97, 215 rotatable bonds, 10 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylpentan-3-yl) 2-(trioxidanylsulfanyl)butanedioate;bis(3-methylbutyl) 2-(trioxidanylsulfanyl)butanedioate;bis(4-methylpentan-2-yl) 2-(trioxidanylsulfanyl)butanedioate;dihexan-2-yl 2-(trioxidanylsulfanyl)butanedioate;methane;2-[2-[2-(2-tetradecan-7-yloxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tetradecan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]acetic acid;2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid;2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 158675289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).