4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate

C250H372O66 — CID 161225274

IUPAC4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate
SMILESCCCCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCOC)cc1.CCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCOc1ccc(C(=O)OCCCCOC)cc1.COCCCCCCOc1ccc(C(=O)OC)cc1.COCCCCCCOc1ccc(C(=O)OCCOC)cc1.COCCCCCc1ccc(C(=O)OC)cc1.COCCCCOC(=O)c1ccc(OCCOC)cc1.COCCCCOc1ccc(C(=O)OCCOC)cc1.COCCOC(=O)c1ccc(OCCOC)cc1.COCCOc1ccc(C(=O)OC)cc1.COCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H34O4.2C19H30O4.C17H26O5.3C17H26O4.2C15H22O5.3C15H22O4.C14H20O3.C13H18O5.C11H14O4.C10H12O3/c1-3-4-5-6-10-17-24-20-14-12-19(13-15-20)21(22)25-18-11-8-7-9-16-23-2;1-3-4-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-6-5-8-14-21-2;1-3-4-5-6-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-8-14-21-2;1-19-11-5-3-4-6-12-21-16-9-7-15(8-10-16)17(18)22-14-13-20-2;1-3-12-20-16-10-8-15(9-11-16)17(18)21-14-7-5-4-6-13-19-2;1-3-4-5-13-20-16-10-8-15(9-11-16)17(18)21-14-7-6-12-19-2;1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)17(18)21-14-13-19-2;1-17-9-3-4-10-20-15(16)13-5-7-14(8-6-13)19-12-11-18-2;1-17-9-3-4-10-19-14-7-5-13(6-8-14)15(16)20-12-11-18-2;1-17-11-5-3-4-6-12-19-14-9-7-13(8-10-14)15(16)18-2;1-3-10-18-14-8-6-13(7-9-14)15(16)19-12-5-4-11-17-2;1-3-4-5-10-18-14-8-6-13(7-9-14)15(16)19-12-11-17-2;1-16-11-5-3-4-6-12-7-9-13(10-8-12)14(15)17-2;1-15-7-9-17-12-5-3-11(4-6-12)13(14)18-10-8-16-2;1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2;1-12-7-8-3-5-9(6-4-8)10(11)13-2/h12-15H,3-11,16-18H2,1-2H3;2*10-13H,3-9,14-16H2,1-2H3;7-10H,3-6,11-14H2,1-2H3;3*8-11H,3-7,12-14H2,1-2H3;2*5-8H,3-4,9-12H2,1-2H3;7-10H,3-6,11-12H2,1-2H3;2*6-9H,3-5,10-12H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-6H,7-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7H2,1-2H3
InChIKeyUYAOEQOYEUQNJD-UHFFFAOYSA-N
MW4433.66 g/mol
LogP50.46
Rot. Bonds156

About 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate

4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate (PubChem CID 161225274) has the molecular formula C250H372O66 and a molecular weight of 4433.66 g/mol. Its IUPAC name is 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate.

Molecular Properties

Compound Name4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate
PubChem CID161225274
Molecular FormulaC250H372O66
Molecular Weight4433.66 g/mol
Exact Mass4430.58
IUPAC Name4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate
SMILESCCCCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCOC)cc1.CCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCOc1ccc(C(=O)OCCCCOC)cc1.COCCCCCCOc1ccc(C(=O)OC)cc1.COCCCCCCOc1ccc(C(=O)OCCOC)cc1.COCCCCCc1ccc(C(=O)OC)cc1.COCCCCOC(=O)c1ccc(OCCOC)cc1.COCCCCOc1ccc(C(=O)OCCOC)cc1.COCCOC(=O)c1ccc(OCCOC)cc1.COCCOc1ccc(C(=O)OC)cc1.COCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C21H34O4.2C19H30O4.C17H26O5.3C17H26O4.2C15H22O5.3C15H22O4.C14H20O3.C13H18O5.C11H14O4.C10H12O3/c1-3-4-5-6-10-17-24-20-14-12-19(13-15-20)21(22)25-18-11-8-7-9-16-23-2;1-3-4-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-6-5-8-14-21-2;1-3-4-5-6-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-8-14-21-2;1-19-11-5-3-4-6-12-21-16-9-7-15(8-10-16)17(18)22-14-13-20-2;1-3-12-20-16-10-8-15(9-11-16)17(18)21-14-7-5-4-6-13-19-2;1-3-4-5-13-20-16-10-8-15(9-11-16)17(18)21-14-7-6-12-19-2;1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)17(18)21-14-13-19-2;1-17-9-3-4-10-20-15(16)13-5-7-14(8-6-13)19-12-11-18-2;1-17-9-3-4-10-19-14-7-5-13(6-8-14)15(16)20-12-11-18-2;1-17-11-5-3-4-6-12-19-14-9-7-13(8-10-14)15(16)18-2;1-3-10-18-14-8-6-13(7-9-14)15(16)19-12-5-4-11-17-2;1-3-4-5-10-18-14-8-6-13(7-9-14)15(16)19-12-11-17-2;1-16-11-5-3-4-6-12-7-9-13(10-8-12)14(15)17-2;1-15-7-9-17-12-5-3-11(4-6-12)13(14)18-10-8-16-2;1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2;1-12-7-8-3-5-9(6-4-8)10(11)13-2/h12-15H,3-11,16-18H2,1-2H3;2*10-13H,3-9,14-16H2,1-2H3;7-10H,3-6,11-14H2,1-2H3;3*8-11H,3-7,12-14H2,1-2H3;2*5-8H,3-4,9-12H2,1-2H3;7-10H,3-6,11-12H2,1-2H3;2*6-9H,3-5,10-12H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-6H,7-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7H2,1-2H3
InChIKeyUYAOEQOYEUQNJD-UHFFFAOYSA-N
XLogP50.46
TPSA734.62 Ų
H-Bond Donors
H-Bond Acceptors66
Rotatable Bonds156
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004433.66
LogP ≤ 550.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1066

Computed Properties (RDKit)

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

Analyze 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate with MolForge

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Launch Full Analysis

Related Compounds

4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;2-methoxyethyl 4-propoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate
CID 157442201
2-methoxyethyl 4-decoxybenzoate
CID 54021370
1-(4-methoxybutoxy)-4-(4-methoxybutoxymethyl)benzene;1-(4-methoxybutoxy)-4-(6-methoxyhexoxymethyl)benzene;1-(4-methoxybutoxymethyl)-4-(6-methoxyhexoxy)benzene;4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;1-(2-methoxyethoxy)-4-(6-methoxyhexoxymethyl)benzene;2-methoxyethyl formate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-pentoxybenzoate;1-(6-methoxyhexoxy)-4-(6-methoxyhexoxymethyl)benzene;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-ethylbenzoate;methyl 4-heptoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-methylbenzoate;methyl 4-pentoxybenzoate;methyl 4-propoxybenzoate;propoxybenzene
CID 158222787
7-[4-[4-(4-nonylphenoxy)carbonylphenoxy]carbonylphenoxy]heptyl 4-(4-heptylphenyl)benzoate
CID 102091630
hexadecyl 4-butylbenzoate
CID 530539
heptyl 4-butylbenzoate
CID 530533
octyl 4-butylbenzoate
CID 518663
[2-(4-nonoxyphenyl)-2-oxoethyl] 4-heptylbenzoate
CID 3104651
(4-heptylphenyl) 4-decoxybenzoate
CID 19992749
(4-nonoxyphenyl) 4-pentylbenzoate
CID 71335502
hexyl 4-(4-heptylphenyl)benzoate
CID 70501068
methyl 4-(5-octoxy-5-oxopentoxy)benzoate
CID 101216766

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate?
The IUPAC name of 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate (CID 161225274) is 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate.
What is the SMILES notation for 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate?
The canonical SMILES for 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate is CCCCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCCCOc1ccc(C(=O)OCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCCCOC)cc1.CCCCCOc1ccc(C(=O)OCCOC)cc1.CCCOc1ccc(C(=O)OCCCCCCOC)cc1.CCCOc1ccc(C(=O)OCCCCOC)cc1.COCCCCCCOc1ccc(C(=O)OC)cc1.COCCCCCCOc1ccc(C(=O)OCCOC)cc1.COCCCCCc1ccc(C(=O)OC)cc1.COCCCCOC(=O)c1ccc(OCCOC)cc1.COCCCCOc1ccc(C(=O)OCCOC)cc1.COCCOC(=O)c1ccc(OCCOC)cc1.COCCOc1ccc(C(=O)OC)cc1.COCc1ccc(C(=O)OC)cc1.
What is the InChIKey of 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate?
The InChIKey is UYAOEQOYEUQNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4.2C19H30O4.C17H26O5.3C17H26O4.2C15H22O5.3C15H22O4.C14H20O3.C13H18O5.C11H14O4.C10H12O3/c1-3-4-5-6-10-17-24-20-14-12-19(13-15-20)21(22)25-18-11-8-7-9-16-23-2;1-3-4-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-6-5-8-14-21-2;1-3-4-5-6-7-15-22-18-12-10-17(11-13-18)19(20)23-16-9-8-14-21-2;1-19-11-5-3-4-6-12-21-16-9-7-15(8-10-16)17(18)22-14-13-20-2;1-3-12-20-16-10-8-15(9-11-16)17(18)21-14-7-5-4-6-13-19-2;1-3-4-5-13-20-16-10-8-15(9-11-16)17(18)21-14-7-6-12-19-2;1-3-4-5-6-7-12-20-16-10-8-15(9-11-16)17(18)21-14-13-19-2;1-17-9-3-4-10-20-15(16)13-5-7-14(8-6-13)19-12-11-18-2;1-17-9-3-4-10-19-14-7-5-13(6-8-14)15(16)20-12-11-18-2;1-17-11-5-3-4-6-12-19-14-9-7-13(8-10-14)15(16)18-2;1-3-10-18-14-8-6-13(7-9-14)15(16)19-12-5-4-11-17-2;1-3-4-5-10-18-14-8-6-13(7-9-14)15(16)19-12-11-17-2;1-16-11-5-3-4-6-12-7-9-13(10-8-12)14(15)17-2;1-15-7-9-17-12-5-3-11(4-6-12)13(14)18-10-8-16-2;1-13-7-8-15-10-5-3-9(4-6-10)11(12)14-2;1-12-7-8-3-5-9(6-4-8)10(11)13-2/h12-15H,3-11,16-18H2,1-2H3;2*10-13H,3-9,14-16H2,1-2H3;7-10H,3-6,11-14H2,1-2H3;3*8-11H,3-7,12-14H2,1-2H3;2*5-8H,3-4,9-12H2,1-2H3;7-10H,3-6,11-12H2,1-2H3;2*6-9H,3-5,10-12H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-6H,7-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7H2,1-2H3.
What are the key properties of 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate?
4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate has a molecular weight of 4433.66 g/mol, XLogP of 50.46, 156 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl 4-heptoxybenzoate;4-methoxybutyl 4-(2-methoxyethoxy)benzoate;4-methoxybutyl 4-pentoxybenzoate;4-methoxybutyl 4-propoxybenzoate;2-methoxyethyl 4-heptoxybenzoate;2-methoxyethyl 4-(4-methoxybutoxy)benzoate;2-methoxyethyl 4-(2-methoxyethoxy)benzoate;2-methoxyethyl 4-(6-methoxyhexoxy)benzoate;2-methoxyethyl 4-pentoxybenzoate;6-methoxyhexyl 4-heptoxybenzoate;6-methoxyhexyl 4-pentoxybenzoate;6-methoxyhexyl 4-propoxybenzoate;methyl 4-(2-methoxyethoxy)benzoate;methyl 4-(6-methoxyhexoxy)benzoate;methyl 4-(methoxymethyl)benzoate;methyl 4-(5-methoxypentyl)benzoate is sourced from PubChem (CID 161225274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).