5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene

C21H36O — CID 159607364

IUPAC5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene
SMILESCCc1cc(C(C)C)c(OC(C)C)c(C(CC)(CC)CC)c1
InChIInChI=1S/C21H36O/c1-9-17-13-18(15(5)6)20(22-16(7)8)19(14-17)21(10-2,11-3)12-4/h13-16H,9-12H2,1-8H3
InChIKeyZNCKFUIMNPQOPL-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.63
Rot. Bonds8

About 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene

5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene (PubChem CID 159607364) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene
PubChem CID159607364
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene
SMILESCCc1cc(C(C)C)c(OC(C)C)c(C(CC)(CC)CC)c1
InChIInChI=1S/C21H36O/c1-9-17-13-18(15(5)6)20(22-16(7)8)19(14-17)21(10-2,11-3)12-4/h13-16H,9-12H2,1-8H3
InChIKeyZNCKFUIMNPQOPL-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 159607362
1-ethyl-3-propan-2-yl-2-propan-2-yloxy-5-(2,3,3-trimethylbutan-2-yl)benzene
CID 159608044
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
CID 159108769
6-ethyl-4-propan-2-yl-1H-indole
CID 129263187
1,3-di(propan-2-yl)-2-propan-2-yloxybenzene;ethoxyethane
CID 67998176
1-ethyl-3-(2-methylpropyl)-5-propan-2-yloxybenzene
CID 70932281
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
4-ethyl-2-propan-2-yloxyaniline
CID 91557957
1,3-ditert-butyl-5-ethyl-2-methoxybenzene;ethane
CID 143616670
1,3-diethoxy-5-(2-methylpropyl)-2-propan-2-yloxybenzene
CID 135280827
1-tert-butyl-2-ethyl-5-propan-2-yl-4-propan-2-yloxybenzene;1-ethyl-2-methyl-4-propan-2-yl-5-propan-2-yloxybenzene
CID 158446032

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene?
The IUPAC name of 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene (CID 159607364) is 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene.
What is the SMILES notation for 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene?
The canonical SMILES for 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene is CCc1cc(C(C)C)c(OC(C)C)c(C(CC)(CC)CC)c1.
What is the InChIKey of 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene?
The InChIKey is ZNCKFUIMNPQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-9-17-13-18(15(5)6)20(22-16(7)8)19(14-17)21(10-2,11-3)12-4/h13-16H,9-12H2,1-8H3.
What are the key properties of 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene?
5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene has a molecular weight of 304.52 g/mol, XLogP of 6.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-ethylpentan-3-yl)-3-propan-2-yl-2-propan-2-yloxybenzene is sourced from PubChem (CID 159607364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).