2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)

C80H120O — CID 163823681

IUPAC2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
SMILESC.CCc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)c(C)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/2C12H18.C11H16O.4C11H16.CH4/c1-9(2)7-12-6-5-10(3)8-11(12)4;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-10-4-6-11(12-3)7-5-10;4*1-9(2)8-11-6-4-10(3)5-7-11;/h5-6,8-9H,7H2,1-4H3;5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4*4-7,9H,8H2,1-3H3;1H4
InChIKeyNXPAYHRBOKJOHH-UHFFFAOYSA-N
MW1097.84 g/mol
LogP23.25
Rot. Bonds16

About 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)

2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene) (PubChem CID 163823681) has the molecular formula C80H120O and a molecular weight of 1097.84 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene).

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
PubChem CID163823681
Molecular FormulaC80H120O
Molecular Weight1097.84 g/mol
Exact Mass1096.93
IUPAC Name2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)
SMILESC.CCc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)c(C)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/2C12H18.C11H16O.4C11H16.CH4/c1-9(2)7-12-6-5-10(3)8-11(12)4;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-10-4-6-11(12-3)7-5-10;4*1-9(2)8-11-6-4-10(3)5-7-11;/h5-6,8-9H,7H2,1-4H3;5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4*4-7,9H,8H2,1-3H3;1H4
InChIKeyNXPAYHRBOKJOHH-UHFFFAOYSA-N
XLogP23.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.84
LogP ≤ 523.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene) with MolForge

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Related Compounds

1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816
ethane;1-[(4-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 143200250
1-ethyl-4-(2-methylpropyl)benzene;methane;propane
CID 154659572
[4-methoxy-2-[4-(2-methylpropyl)phenyl]phenyl]methanol
CID 172652180
2,4-dimethyl-1-[[4-(4-methylphenoxy)phenyl]methyl]benzene
CID 134556504
1-methoxy-4-methylbenzene;propane
CID 142064987
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 61481786
(4-ethylphenyl)-bis(4-methoxyphenyl)-methylphosphanium
CID 123234194
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)?
The IUPAC name of 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene) (CID 163823681) is 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene).
What is the SMILES notation for 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)?
The canonical SMILES for 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene) is C.CCc1ccc(CC(C)C)cc1.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)c(C)c1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)?
The InChIKey is NXPAYHRBOKJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.C11H16O.4C11H16.CH4/c1-9(2)7-12-6-5-10(3)8-11(12)4;1-4-11-5-7-12(8-6-11)9-10(2)3;1-9(2)8-10-4-6-11(12-3)7-5-10;4*1-9(2)8-11-6-4-10(3)5-7-11;/h5-6,8-9H,7H2,1-4H3;5-8,10H,4,9H2,1-3H3;4-7,9H,8H2,1-3H3;4*4-7,9H,8H2,1-3H3;1H4.
What are the key properties of 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene)?
2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene) has a molecular weight of 1097.84 g/mol, XLogP of 23.25, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylpropyl)benzene;1-ethyl-4-(2-methylpropyl)benzene;methane;1-methoxy-4-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene) is sourced from PubChem (CID 163823681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).