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

C22H38O — CID 162269131

IUPAC1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1ccc(CC(C)(C)C)c(OC(C)(C)C)c1CC(C)(C)C
InChIInChI=1S/C22H38O/c1-11-16-12-13-17(14-20(2,3)4)19(23-22(8,9)10)18(16)15-21(5,6)7/h12-13H,11,14-15H2,1-10H3
InChIKeyQSZIPHGCUCNKGA-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.60
Rot. Bonds4

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

1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 162269131) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID162269131
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene
SMILESCCc1ccc(CC(C)(C)C)c(OC(C)(C)C)c1CC(C)(C)C
InChIInChI=1S/C22H38O/c1-11-16-12-13-17(14-20(2,3)4)19(23-22(8,9)10)18(16)15-21(5,6)7/h12-13H,11,14-15H2,1-10H3
InChIKeyQSZIPHGCUCNKGA-UHFFFAOYSA-N
XLogP6.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene (CID 162269131) is 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene is CCc1ccc(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-2-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is QSZIPHGCUCNKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-11-16-12-13-17(14-20(2,3)4)19(23-22(8,9)10)18(16)15-21(5,6)7/h12-13H,11,14-15H2,1-10H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene?
1,3-bis(2,2-dimethylpropyl)-4-ethyl-2-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 318.55 g/mol, XLogP of 6.60, 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-2-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 162269131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).