1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

C23H40O — CID 162269132

IUPAC1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1c(C)cc(CC(C)(C)C)c(OC(C)(C)C)c1CC(C)(C)C
InChIInChI=1S/C23H40O/c1-12-18-16(2)13-17(14-21(3,4)5)20(24-23(9,10)11)19(18)15-22(6,7)8/h13H,12,14-15H2,1-11H3
InChIKeyFKTYHCJDYXEXSM-UHFFFAOYSA-N
MW332.57 g/mol
LogP6.91
Rot. Bonds4

About 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene

1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 162269132) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID162269132
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1c(C)cc(CC(C)(C)C)c(OC(C)(C)C)c1CC(C)(C)C
InChIInChI=1S/C23H40O/c1-12-18-16(2)13-17(14-21(3,4)5)20(24-23(9,10)11)19(18)15-22(6,7)8/h13H,12,14-15H2,1-11H3
InChIKeyFKTYHCJDYXEXSM-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162303990
1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 162269131
pentakis(1,3-bis(2,2-dimethylpropyl)-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene);propane
CID 162289377
2,3-diethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]phenol
CID 162375128
4-(2,2-dimethylpropyl)-3,5-dimethylphenol
CID 134338479
3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
CID 590260
1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-propan-2-ylbenzene
CID 162303983
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
CID 144633888
1-(2,2-dimethylpentan-3-yl)-3-(2,2-dimethylpropyl)-2-[(2-methylpropan-2-yl)oxy]-5-(2,3,3-trimethylbutan-2-yl)benzene
CID 162303974
[4-(2,2-dimethylpropyl)-3,5-dimethylphenyl]-methylborinic acid
CID 158120582
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714
1,4-bis(2,2-dimethylpropyl)-2,3,5-trifluorobenzene
CID 164762951

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene (CID 162269132) is 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene is CCc1c(C)cc(CC(C)(C)C)c(OC(C)(C)C)c1CC(C)(C)C.
What is the InChIKey of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is FKTYHCJDYXEXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-12-18-16(2)13-17(14-21(3,4)5)20(24-23(9,10)11)19(18)15-22(6,7)8/h13H,12,14-15H2,1-11H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene?
1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 332.57 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropyl)-4-ethyl-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 162269132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).