1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene

C106H166O9 — CID 157147804

IUPAC1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1c(C)c(C)c(C)c(C)c1C.COc1ccc(C(C)(C)C)cc1.COc1ccc2c(OC)cccc2c1.COc1ccc2ccc(OC)cc2c1.COc1ccc2ccccc2c1.COc1ccc2ccccc2c1.COc1cccc2ccccc12
InChIInChI=1S/2C12H12O2.C12H18O.3C11H10O.C11H16O.13C2H6/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11;1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2;1-7-8(2)10(4)12(13-6)11(5)9(7)3;1-12-11-8-4-6-9-5-2-3-7-10(9)11;2*1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-11(2,3)9-5-7-10(12-4)8-6-9;13*1-2/h2*3-8H,1-2H3;1-6H3;3*2-8H,1H3;5-8H,1-4H3;13*1-2H3
InChIKeyAKXDFTRVRJSYLY-UHFFFAOYSA-N
MW1584.48 g/mol
LogP33.83
Rot. Bonds9

About 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene

1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene (PubChem CID 157147804) has the molecular formula C106H166O9 and a molecular weight of 1584.48 g/mol. Its IUPAC name is 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene
PubChem CID157147804
Molecular FormulaC106H166O9
Molecular Weight1584.48 g/mol
Exact Mass1583.25
IUPAC Name1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1c(C)c(C)c(C)c(C)c1C.COc1ccc(C(C)(C)C)cc1.COc1ccc2c(OC)cccc2c1.COc1ccc2ccc(OC)cc2c1.COc1ccc2ccccc2c1.COc1ccc2ccccc2c1.COc1cccc2ccccc12
InChIInChI=1S/2C12H12O2.C12H18O.3C11H10O.C11H16O.13C2H6/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11;1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2;1-7-8(2)10(4)12(13-6)11(5)9(7)3;1-12-11-8-4-6-9-5-2-3-7-10(9)11;2*1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-11(2,3)9-5-7-10(12-4)8-6-9;13*1-2/h2*3-8H,1-2H3;1-6H3;3*2-8H,1H3;5-8H,1-4H3;13*1-2H3
InChIKeyAKXDFTRVRJSYLY-UHFFFAOYSA-N
XLogP33.83
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001584.48
LogP ≤ 533.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene with MolForge

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Related Compounds

anisole;1,2-dimethoxybenzene;ethane;tris(9-ethylanthracene);2-methoxynaphthalene
CID 158103342
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
2-(2,5-dimethoxy-3,4,6-trimethylphenyl)-3,6-dimethoxynaphthalene
CID 161043902
1-tert-butyl-7-methoxynaphthalene
CID 608110
2,6-dimethoxy-1-methylnaphthalene
CID 68950467
1-chloro-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-7-methoxyphenanthrene
CID 15364465
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
6-methoxychrysene
CID 12935769
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
methanol;1-methoxynaphthalene;neptunium
CID 157299455
1-(1-naphthalen-2-yloxyethoxy)naphthalene
CID 173215888
anthracene;benzo[a]anthracene;benzo[a]pyrene;9,10-dimethoxyanthracene;9,10-dimethoxy-2-methylanthracene;1,4-dimethoxynaphthalene;2-methylanthracene;naphthalene
CID 158740901

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene?
The IUPAC name of 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene (CID 157147804) is 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene.
What is the SMILES notation for 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene?
The canonical SMILES for 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1c(C)c(C)c(C)c(C)c1C.COc1ccc(C(C)(C)C)cc1.COc1ccc2c(OC)cccc2c1.COc1ccc2ccc(OC)cc2c1.COc1ccc2ccccc2c1.COc1ccc2ccccc2c1.COc1cccc2ccccc12.
What is the InChIKey of 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene?
The InChIKey is AKXDFTRVRJSYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O2.C12H18O.3C11H10O.C11H16O.13C2H6/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11;1-13-10-6-7-11-9(8-10)4-3-5-12(11)14-2;1-7-8(2)10(4)12(13-6)11(5)9(7)3;1-12-11-8-4-6-9-5-2-3-7-10(9)11;2*1-12-11-7-6-9-4-2-3-5-10(9)8-11;1-11(2,3)9-5-7-10(12-4)8-6-9;13*1-2/h2*3-8H,1-2H3;1-6H3;3*2-8H,1H3;5-8H,1-4H3;13*1-2H3.
What are the key properties of 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene?
1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene has a molecular weight of 1584.48 g/mol, XLogP of 33.83, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methoxybenzene;1,6-dimethoxynaphthalene;2,7-dimethoxynaphthalene;ethane;1-methoxynaphthalene;bis(2-methoxynaphthalene);1-methoxy-2,3,4,5,6-pentamethylbenzene is sourced from PubChem (CID 157147804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).