4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene

C22H38O2 — CID 91235271

IUPAC4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene
SMILESCCCCCC(CC)CC(C)(C)COc1ccc(CC)cc1OC
InChIInChI=1S/C22H38O2/c1-7-10-11-12-19(9-3)16-22(4,5)17-24-20-14-13-18(8-2)15-21(20)23-6/h13-15,19H,7-12,16-17H2,1-6H3
InChIKeyBNEFVYGUUWEODO-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.66
Rot. Bonds12

About 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene

4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene (PubChem CID 91235271) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene.

Molecular Properties

Compound Name4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene
PubChem CID91235271
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene
SMILESCCCCCC(CC)CC(C)(C)COc1ccc(CC)cc1OC
InChIInChI=1S/C22H38O2/c1-7-10-11-12-19(9-3)16-22(4,5)17-24-20-14-13-18(8-2)15-21(20)23-6/h13-15,19H,7-12,16-17H2,1-6H3
InChIKeyBNEFVYGUUWEODO-UHFFFAOYSA-N
XLogP6.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 107668926
1-[2-(bromomethyl)butoxy]-4-ethyl-2-methoxybenzene
CID 107664512
N-[(3-methoxy-4-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847727
N-[(3,4-dimethoxyphenyl)methyl]octan-2-amine
CID 43085029
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
5-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpentanenitrile
CID 103866440
2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
9-(4-ethyl-2-methoxyphenoxy)nonane-1-thiol
CID 107669491
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034
1-ethyl-3-(2-ethylheptoxy)benzene
CID 54140659
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene?
The IUPAC name of 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene (CID 91235271) is 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene.
What is the SMILES notation for 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene?
The canonical SMILES for 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene is CCCCCC(CC)CC(C)(C)COc1ccc(CC)cc1OC.
What is the InChIKey of 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene?
The InChIKey is BNEFVYGUUWEODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-7-10-11-12-19(9-3)16-22(4,5)17-24-20-14-13-18(8-2)15-21(20)23-6/h13-15,19H,7-12,16-17H2,1-6H3.
What are the key properties of 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene?
4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene has a molecular weight of 334.54 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-ethyl-2,2-dimethylnonoxy)-2-methoxybenzene is sourced from PubChem (CID 91235271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).