1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane

C106H154O6 — CID 160622092

IUPAC1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane
SMILESCC.CC.CCCCCCCCCCOc1ccc(-c2cc(C)c(-c3ccc(OCCCCCCCCCC)cc3)cc2C)cc1.CCCCCCCCCCOc1ccc(-c2cc(C)c(OC)cc2C)cc1.CCCCCCCCCCOc1cccc(-c2cc(C)c(OC)cc2C)c1.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C40H58O2.2C25H36O2.C12H12.2C2H6/c1-5-7-9-11-13-15-17-19-29-41-37-25-21-35(22-26-37)39-31-34(4)40(32-33(39)3)36-23-27-38(28-24-36)42-30-20-18-16-14-12-10-8-6-2;1-5-6-7-8-9-10-11-12-17-27-23-15-13-22(14-16-23)24-18-21(3)25(26-4)19-20(24)2;1-5-6-7-8-9-10-11-12-16-27-23-15-13-14-22(19-23)24-17-21(3)25(26-4)18-20(24)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-2/h21-28,31-32H,5-20,29-30H2,1-4H3;13-16,18-19H,5-12,17H2,1-4H3;13-15,17-19H,5-12,16H2,1-4H3;3-8H,1-2H3;2*1-2H3
InChIKeyRGVJHMPKOQSJQR-UHFFFAOYSA-N
MW1524.39 g/mol
LogP33.18
Rot. Bonds46

About 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane

1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane (PubChem CID 160622092) has the molecular formula C106H154O6 and a molecular weight of 1524.39 g/mol. Its IUPAC name is 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane.

Molecular Properties

Compound Name1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane
PubChem CID160622092
Molecular FormulaC106H154O6
Molecular Weight1524.39 g/mol
Exact Mass1523.17
IUPAC Name1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane
SMILESCC.CC.CCCCCCCCCCOc1ccc(-c2cc(C)c(-c3ccc(OCCCCCCCCCC)cc3)cc2C)cc1.CCCCCCCCCCOc1ccc(-c2cc(C)c(OC)cc2C)cc1.CCCCCCCCCCOc1cccc(-c2cc(C)c(OC)cc2C)c1.Cc1ccc2cc(C)ccc2c1
InChIInChI=1S/C40H58O2.2C25H36O2.C12H12.2C2H6/c1-5-7-9-11-13-15-17-19-29-41-37-25-21-35(22-26-37)39-31-34(4)40(32-33(39)3)36-23-27-38(28-24-36)42-30-20-18-16-14-12-10-8-6-2;1-5-6-7-8-9-10-11-12-17-27-23-15-13-22(14-16-23)24-18-21(3)25(26-4)19-20(24)2;1-5-6-7-8-9-10-11-12-16-27-23-15-13-14-22(19-23)24-17-21(3)25(26-4)18-20(24)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-2/h21-28,31-32H,5-20,29-30H2,1-4H3;13-16,18-19H,5-12,17H2,1-4H3;13-15,17-19H,5-12,16H2,1-4H3;3-8H,1-2H3;2*1-2H3
InChIKeyRGVJHMPKOQSJQR-UHFFFAOYSA-N
XLogP33.18
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds46
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001524.39
LogP ≤ 533.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane with MolForge

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Related Compounds

1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane
CID 160801660
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
2-butoxy-6-methylnaphthalene
CID 58718847
1-methoxy-4-[4-(3-methylphenoxy)butoxy]benzene
CID 2251707
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
1-dodecoxy-4-[4-(4-dodecoxyphenyl)phenyl]-2-methylbenzene
CID 59593849
1,3-dihexadecoxybenzene
CID 12686834
1-methoxy-4-tetradecoxybenzene
CID 91712423
4-[3-(3-chloropropoxy)phenyl]-1-methoxy-2-methylbenzene
CID 39396728
2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
CID 101057041

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane?
The IUPAC name of 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane (CID 160622092) is 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane.
What is the SMILES notation for 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane?
The canonical SMILES for 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane is CC.CC.CCCCCCCCCCOc1ccc(-c2cc(C)c(-c3ccc(OCCCCCCCCCC)cc3)cc2C)cc1.CCCCCCCCCCOc1ccc(-c2cc(C)c(OC)cc2C)cc1.CCCCCCCCCCOc1cccc(-c2cc(C)c(OC)cc2C)c1.Cc1ccc2cc(C)ccc2c1.
What is the InChIKey of 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane?
The InChIKey is RGVJHMPKOQSJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O2.2C25H36O2.C12H12.2C2H6/c1-5-7-9-11-13-15-17-19-29-41-37-25-21-35(22-26-37)39-31-34(4)40(32-33(39)3)36-23-27-38(28-24-36)42-30-20-18-16-14-12-10-8-6-2;1-5-6-7-8-9-10-11-12-17-27-23-15-13-22(14-16-23)24-18-21(3)25(26-4)19-20(24)2;1-5-6-7-8-9-10-11-12-16-27-23-15-13-14-22(19-23)24-17-21(3)25(26-4)18-20(24)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;2*1-2/h21-28,31-32H,5-20,29-30H2,1-4H3;13-16,18-19H,5-12,17H2,1-4H3;13-15,17-19H,5-12,16H2,1-4H3;3-8H,1-2H3;2*1-2H3.
What are the key properties of 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane?
1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane has a molecular weight of 1524.39 g/mol, XLogP of 33.18, 46 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-decoxyphenyl)-2,5-dimethylbenzene;1-(3-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;1-(4-decoxyphenyl)-4-methoxy-2,5-dimethylbenzene;2,6-dimethylnaphthalene;ethane is sourced from PubChem (CID 160622092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).