3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene

C242H310O35 — CID 159354455

IUPAC3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene
SMILESCCCCCCCOc1ccc2cc(C)ccc2c1.CCCCCCCOc1ccc2cc(OCCOC)ccc2c1.CCCCCCOc1ccc2cc(C)ccc2c1.CCCCCOc1ccc2cc(C)ccc2c1.CCCCCOc1ccc2cc(OCCOC)ccc2c1.CCCCOc1ccc2cc(C)ccc2c1.CCCOc1ccc2cc(C)ccc2c1.CCCOc1ccc2cc(OCCCCOC)ccc2c1.CCCOc1ccc2cc(OCCOC)ccc2c1.CCCc1ccc2cc(C)ccc2c1.CCc1ccc2cc(C)ccc2c1.COCCCCCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.COCCCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.COCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C20H28O3.C19H28O6.2C18H24O3.C18H24O.C17H24O6.C17H22O.C16H20O3.C16H20O.C15H20O6.C15H18O.C14H16O.C14H16.C13H14.C12H12/c1-3-4-5-6-7-12-22-19-10-8-18-16-20(23-14-13-21-2)11-9-17(18)15-19;1-16(20)23-14-7-15-25-19(21)17-8-10-18(11-9-17)24-13-6-4-3-5-12-22-2;1-3-10-20-17-8-6-16-14-18(9-7-15(16)13-17)21-12-5-4-11-19-2;1-3-4-5-10-20-17-8-6-16-14-18(21-12-11-19-2)9-7-15(16)13-17;1-3-4-5-6-7-12-19-18-11-10-16-13-15(2)8-9-17(16)14-18;1-14(18)21-12-5-13-23-17(19)15-6-8-16(9-7-15)22-11-4-3-10-20-2;1-3-4-5-6-11-18-17-10-9-15-12-14(2)7-8-16(15)13-17;1-3-8-18-15-6-4-14-12-16(19-10-9-17-2)7-5-13(14)11-15;1-3-4-5-10-17-16-9-8-14-11-13(2)6-7-15(14)12-16;1-12(16)19-8-3-9-21-15(17)13-4-6-14(7-5-13)20-11-10-18-2;1-3-4-9-16-15-8-7-13-10-12(2)5-6-14(13)11-15;1-3-8-15-14-7-6-12-9-11(2)4-5-13(12)10-14;1-3-4-12-6-8-13-9-11(2)5-7-14(13)10-12;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-9-3-5-12-8-10(2)4-6-11(12)7-9/h8-11,15-16H,3-7,12-14H2,1-2H3;8-11H,3-7,12-15H2,1-2H3;2*6-9,13-14H,3-5,10-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;6-9H,3-5,10-13H2,1-2H3;7-10,12-13H,3-6,11H2,1-2H3;4-7,11-12H,3,8-10H2,1-2H3;6-9,11-12H,3-5,10H2,1-2H3;4-7H,3,8-11H2,1-2H3;5-8,10-11H,3-4,9H2,1-2H3;4-7,9-10H,3,8H2,1-2H3;5-10H,3-4H2,1-2H3;4-9H,3H2,1-2H3;3-8H,1-2H3
InChIKeyLHTCQDDHZBQXEX-UHFFFAOYSA-N
MW3779.11 g/mol
LogP60.40
Rot. Bonds97

About 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene

3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene (PubChem CID 159354455) has the molecular formula C242H310O35 and a molecular weight of 3779.11 g/mol. Its IUPAC name is 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene.

Molecular Properties

Compound Name3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene
PubChem CID159354455
Molecular FormulaC242H310O35
Molecular Weight3779.11 g/mol
Exact Mass3776.25
IUPAC Name3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene
SMILESCCCCCCCOc1ccc2cc(C)ccc2c1.CCCCCCCOc1ccc2cc(OCCOC)ccc2c1.CCCCCCOc1ccc2cc(C)ccc2c1.CCCCCOc1ccc2cc(C)ccc2c1.CCCCCOc1ccc2cc(OCCOC)ccc2c1.CCCCOc1ccc2cc(C)ccc2c1.CCCOc1ccc2cc(C)ccc2c1.CCCOc1ccc2cc(OCCCCOC)ccc2c1.CCCOc1ccc2cc(OCCOC)ccc2c1.CCCc1ccc2cc(C)ccc2c1.CCc1ccc2cc(C)ccc2c1.COCCCCCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.COCCCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.COCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C20H28O3.C19H28O6.2C18H24O3.C18H24O.C17H24O6.C17H22O.C16H20O3.C16H20O.C15H20O6.C15H18O.C14H16O.C14H16.C13H14.C12H12/c1-3-4-5-6-7-12-22-19-10-8-18-16-20(23-14-13-21-2)11-9-17(18)15-19;1-16(20)23-14-7-15-25-19(21)17-8-10-18(11-9-17)24-13-6-4-3-5-12-22-2;1-3-10-20-17-8-6-16-14-18(9-7-15(16)13-17)21-12-5-4-11-19-2;1-3-4-5-10-20-17-8-6-16-14-18(21-12-11-19-2)9-7-15(16)13-17;1-3-4-5-6-7-12-19-18-11-10-16-13-15(2)8-9-17(16)14-18;1-14(18)21-12-5-13-23-17(19)15-6-8-16(9-7-15)22-11-4-3-10-20-2;1-3-4-5-6-11-18-17-10-9-15-12-14(2)7-8-16(15)13-17;1-3-8-18-15-6-4-14-12-16(19-10-9-17-2)7-5-13(14)11-15;1-3-4-5-10-17-16-9-8-14-11-13(2)6-7-15(14)12-16;1-12(16)19-8-3-9-21-15(17)13-4-6-14(7-5-13)20-11-10-18-2;1-3-4-9-16-15-8-7-13-10-12(2)5-6-14(13)11-15;1-3-8-15-14-7-6-12-9-11(2)4-5-13(12)10-14;1-3-4-12-6-8-13-9-11(2)5-7-14(13)10-12;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-9-3-5-12-8-10(2)4-6-11(12)7-9/h8-11,15-16H,3-7,12-14H2,1-2H3;8-11H,3-7,12-15H2,1-2H3;2*6-9,13-14H,3-5,10-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;6-9H,3-5,10-13H2,1-2H3;7-10,12-13H,3-6,11H2,1-2H3;4-7,11-12H,3,8-10H2,1-2H3;6-9,11-12H,3-5,10H2,1-2H3;4-7H,3,8-11H2,1-2H3;5-8,10-11H,3-4,9H2,1-2H3;4-7,9-10H,3,8H2,1-2H3;5-10H,3-4H2,1-2H3;4-9H,3H2,1-2H3;3-8H,1-2H3
InChIKeyLHTCQDDHZBQXEX-UHFFFAOYSA-N
XLogP60.40
TPSA370.09 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds97
Heavy Atoms277
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003779.11
LogP ≤ 560.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene with MolForge

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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
heptane;methane;2-(6-methylnaphthalen-2-yl)ethyl acetate
CID 160532911
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
9-(6-methylnaphthalen-2-yl)nonyl acetate
CID 171920221
2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate
CID 58800513
[(2R)-2-methylbutyl] 4-[2-(6-decoxynaphthalen-2-yl)ethyl]benzoate
CID 14573552
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
1-butoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-ethoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;1-hexoxy-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene;tris(1-(2-methoxyethoxy)-4-[4-(4-methylphenyl)phenyl]benzene);1-(2-methoxyethoxy)-4-[4-(4-pentoxyphenyl)phenyl]benzene;1-(2-methoxyethoxy)-4-[4-(4-propoxyphenyl)phenyl]benzene;2-methoxyethyl 4-(4-phenylphenyl)benzoate
CID 158901184
1-O-octyl 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 91741815
icosyl 4-methoxybenzoate
CID 71438594
ethyl 4-octoxybenzoate
CID 18955745

Frequently Asked Questions

What is the IUPAC name of 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene?
The IUPAC name of 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene (CID 159354455) is 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene.
What is the SMILES notation for 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene?
The canonical SMILES for 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene is CCCCCCCOc1ccc2cc(C)ccc2c1.CCCCCCCOc1ccc2cc(OCCOC)ccc2c1.CCCCCCOc1ccc2cc(C)ccc2c1.CCCCCOc1ccc2cc(C)ccc2c1.CCCCCOc1ccc2cc(OCCOC)ccc2c1.CCCCOc1ccc2cc(C)ccc2c1.CCCOc1ccc2cc(C)ccc2c1.CCCOc1ccc2cc(OCCCCOC)ccc2c1.CCCOc1ccc2cc(OCCOC)ccc2c1.CCCc1ccc2cc(C)ccc2c1.CCc1ccc2cc(C)ccc2c1.COCCCCCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.COCCCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.COCCOc1ccc(C(=O)OCCCOC(C)=O)cc1.Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene?
The InChIKey is LHTCQDDHZBQXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3.C19H28O6.2C18H24O3.C18H24O.C17H24O6.C17H22O.C16H20O3.C16H20O.C15H20O6.C15H18O.C14H16O.C14H16.C13H14.C12H12/c1-3-4-5-6-7-12-22-19-10-8-18-16-20(23-14-13-21-2)11-9-17(18)15-19;1-16(20)23-14-7-15-25-19(21)17-8-10-18(11-9-17)24-13-6-4-3-5-12-22-2;1-3-10-20-17-8-6-16-14-18(9-7-15(16)13-17)21-12-5-4-11-19-2;1-3-4-5-10-20-17-8-6-16-14-18(21-12-11-19-2)9-7-15(16)13-17;1-3-4-5-6-7-12-19-18-11-10-16-13-15(2)8-9-17(16)14-18;1-14(18)21-12-5-13-23-17(19)15-6-8-16(9-7-15)22-11-4-3-10-20-2;1-3-4-5-6-11-18-17-10-9-15-12-14(2)7-8-16(15)13-17;1-3-8-18-15-6-4-14-12-16(19-10-9-17-2)7-5-13(14)11-15;1-3-4-5-10-17-16-9-8-14-11-13(2)6-7-15(14)12-16;1-12(16)19-8-3-9-21-15(17)13-4-6-14(7-5-13)20-11-10-18-2;1-3-4-9-16-15-8-7-13-10-12(2)5-6-14(13)11-15;1-3-8-15-14-7-6-12-9-11(2)4-5-13(12)10-14;1-3-4-12-6-8-13-9-11(2)5-7-14(13)10-12;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-9-3-5-12-8-10(2)4-6-11(12)7-9/h8-11,15-16H,3-7,12-14H2,1-2H3;8-11H,3-7,12-15H2,1-2H3;2*6-9,13-14H,3-5,10-12H2,1-2H3;8-11,13-14H,3-7,12H2,1-2H3;6-9H,3-5,10-13H2,1-2H3;7-10,12-13H,3-6,11H2,1-2H3;4-7,11-12H,3,8-10H2,1-2H3;6-9,11-12H,3-5,10H2,1-2H3;4-7H,3,8-11H2,1-2H3;5-8,10-11H,3-4,9H2,1-2H3;4-7,9-10H,3,8H2,1-2H3;5-10H,3-4H2,1-2H3;4-9H,3H2,1-2H3;3-8H,1-2H3.
What are the key properties of 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene?
3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene has a molecular weight of 3779.11 g/mol, XLogP of 60.40, 97 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyloxypropyl 4-(4-methoxybutoxy)benzoate;3-acetyloxypropyl 4-(2-methoxyethoxy)benzoate;3-acetyloxypropyl 4-(6-methoxyhexoxy)benzoate;2-butoxy-6-methylnaphthalene;2,6-dimethylnaphthalene;2-ethyl-6-methylnaphthalene;2-heptoxy-6-(2-methoxyethoxy)naphthalene;2-heptoxy-6-methylnaphthalene;2-hexoxy-6-methylnaphthalene;2-(4-methoxybutoxy)-6-propoxynaphthalene;2-(2-methoxyethoxy)-6-pentoxynaphthalene;2-(2-methoxyethoxy)-6-propoxynaphthalene;2-methyl-6-pentoxynaphthalene;2-methyl-6-propoxynaphthalene;2-methyl-6-propylnaphthalene is sourced from PubChem (CID 159354455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).