1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene

C158H176O22 — CID 158613798

IUPAC1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene
SMILESCCOCc1cccc2cccc(-c3cccc4cccc(COCC)c34)c12.CCc1c(CC)c(CC)c2c(CC)c(Oc3cc(COC(C)=O)c4c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c4c3COC(C)=O)cc(CC)c2c1CC.CCc1c(CC)c(CC)c2ccccc2c1CC.CCc1cc2ccccc2c(-c2c(O)c(COC)cc3ccccc23)c1O.CCc1ccc(CC)c2c(COC)ccc(COC)c12.OCc1cc2ccccc2cc1-c1cc2ccccc2cc1CO
InChIInChI=1S/C50H62O13.C26H26O2.C24H22O3.C22H18O2.C18H24O2.C18H24/c1-13-33-19-45(39(18-6)49-38(17-5)36(15-3)35(14-2)37(16-4)47(33)49)63-46-20-34(21-57-27(7)51)48-42(24-60-30(10)54)40(22-58-28(8)52)41(23-59-29(9)53)43(25-61-31(11)55)50(48)44(46)26-62-32(12)56;1-3-27-17-21-13-5-9-19-11-7-15-23(25(19)21)24-16-8-12-20-10-6-14-22(26(20)24)18-28-4-2;1-3-15-12-16-8-4-6-10-19(16)21(23(15)25)22-20-11-7-5-9-17(20)13-18(14-27-2)24(22)26;23-13-19-9-15-5-1-3-7-17(15)11-21(19)22-12-18-8-4-2-6-16(18)10-20(22)14-24;1-5-13-7-8-14(6-2)18-16(12-20-4)10-9-15(11-19-3)17(13)18;1-5-13-14(6-2)16(8-4)18-12-10-9-11-17(18)15(13)7-3/h19-20H,13-18,21-26H2,1-12H3;5-16H,3-4,17-18H2,1-2H3;4-13,25-26H,3,14H2,1-2H3;1-12,23-24H,13-14H2;7-10H,5-6,11-12H2,1-4H3;9-12H,5-8H2,1-4H3
InChIKeyHXDPMMJLLUUWPF-UHFFFAOYSA-N
MW2427.12 g/mol
LogP36.04
Rot. Bonds44

About 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene

1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene (PubChem CID 158613798) has the molecular formula C158H176O22 and a molecular weight of 2427.12 g/mol. Its IUPAC name is 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene.

Molecular Properties

Compound Name1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene
PubChem CID158613798
Molecular FormulaC158H176O22
Molecular Weight2427.12 g/mol
Exact Mass2425.27
IUPAC Name1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene
SMILESCCOCc1cccc2cccc(-c3cccc4cccc(COCC)c34)c12.CCc1c(CC)c(CC)c2c(CC)c(Oc3cc(COC(C)=O)c4c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c4c3COC(C)=O)cc(CC)c2c1CC.CCc1c(CC)c(CC)c2ccccc2c1CC.CCc1cc2ccccc2c(-c2c(O)c(COC)cc3ccccc23)c1O.CCc1ccc(CC)c2c(COC)ccc(COC)c12.OCc1cc2ccccc2cc1-c1cc2ccccc2cc1CO
InChIInChI=1S/C50H62O13.C26H26O2.C24H22O3.C22H18O2.C18H24O2.C18H24/c1-13-33-19-45(39(18-6)49-38(17-5)36(15-3)35(14-2)37(16-4)47(33)49)63-46-20-34(21-57-27(7)51)48-42(24-60-30(10)54)40(22-58-28(8)52)41(23-59-29(9)53)43(25-61-31(11)55)50(48)44(46)26-62-32(12)56;1-3-27-17-21-13-5-9-19-11-7-15-23(25(19)21)24-16-8-12-20-10-6-14-22(26(20)24)18-28-4-2;1-3-15-12-16-8-4-6-10-19(16)21(23(15)25)22-20-11-7-5-9-17(20)13-18(14-27-2)24(22)26;23-13-19-9-15-5-1-3-7-17(15)11-21(19)22-12-18-8-4-2-6-16(18)10-20(22)14-24;1-5-13-7-8-14(6-2)18-16(12-20-4)10-9-15(11-19-3)17(13)18;1-5-13-14(6-2)16(8-4)18-12-10-9-11-17(18)15(13)7-3/h19-20H,13-18,21-26H2,1-12H3;5-16H,3-4,17-18H2,1-2H3;4-13,25-26H,3,14H2,1-2H3;1-12,23-24H,13-14H2;7-10H,5-6,11-12H2,1-4H3;9-12H,5-8H2,1-4H3
InChIKeyHXDPMMJLLUUWPF-UHFFFAOYSA-N
XLogP36.04
TPSA294.10 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds44
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002427.12
LogP ≤ 536.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene?
The IUPAC name of 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene (CID 158613798) is 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene.
What is the SMILES notation for 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene?
The canonical SMILES for 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene is CCOCc1cccc2cccc(-c3cccc4cccc(COCC)c34)c12.CCc1c(CC)c(CC)c2c(CC)c(Oc3cc(COC(C)=O)c4c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c(COC(C)=O)c4c3COC(C)=O)cc(CC)c2c1CC.CCc1c(CC)c(CC)c2ccccc2c1CC.CCc1cc2ccccc2c(-c2c(O)c(COC)cc3ccccc23)c1O.CCc1ccc(CC)c2c(COC)ccc(COC)c12.OCc1cc2ccccc2cc1-c1cc2ccccc2cc1CO.
What is the InChIKey of 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene?
The InChIKey is HXDPMMJLLUUWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H62O13.C26H26O2.C24H22O3.C22H18O2.C18H24O2.C18H24/c1-13-33-19-45(39(18-6)49-38(17-5)36(15-3)35(14-2)37(16-4)47(33)49)63-46-20-34(21-57-27(7)51)48-42(24-60-30(10)54)40(22-58-28(8)52)41(23-59-29(9)53)43(25-61-31(11)55)50(48)44(46)26-62-32(12)56;1-3-27-17-21-13-5-9-19-11-7-15-23(25(19)21)24-16-8-12-20-10-6-14-22(26(20)24)18-28-4-2;1-3-15-12-16-8-4-6-10-19(16)21(23(15)25)22-20-11-7-5-9-17(20)13-18(14-27-2)24(22)26;23-13-19-9-15-5-1-3-7-17(15)11-21(19)22-12-18-8-4-2-6-16(18)10-20(22)14-24;1-5-13-7-8-14(6-2)18-16(12-20-4)10-9-15(11-19-3)17(13)18;1-5-13-14(6-2)16(8-4)18-12-10-9-11-17(18)15(13)7-3/h19-20H,13-18,21-26H2,1-12H3;5-16H,3-4,17-18H2,1-2H3;4-13,25-26H,3,14H2,1-2H3;1-12,23-24H,13-14H2;7-10H,5-6,11-12H2,1-4H3;9-12H,5-8H2,1-4H3.
What are the key properties of 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene?
1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene has a molecular weight of 2427.12 g/mol, XLogP of 36.04, 44 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-5,8-bis(methoxymethyl)naphthalene;1-(ethoxymethyl)-8-[8-(ethoxymethyl)naphthalen-1-yl]naphthalene;3-ethyl-1-[2-hydroxy-3-(methoxymethyl)naphthalen-1-yl]naphthalen-2-ol;[3-[3-(hydroxymethyl)naphthalen-2-yl]naphthalen-2-yl]methanol;[4,5,6,7,8-pentakis(acetyloxymethyl)-3-(1,4,5,6,7,8-hexaethylnaphthalen-2-yl)oxynaphthalen-1-yl]methyl acetate;1,2,3,4-tetraethylnaphthalene is sourced from PubChem (CID 158613798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).