1-ethyl-3-(2-ethylheptoxy)benzene

C17H28O — CID 54140659

IUPAC1-ethyl-3-(2-ethylheptoxy)benzene
SMILESCCCCCC(CC)COc1cccc(CC)c1
InChIInChI=1S/C17H28O/c1-4-7-8-10-16(6-3)14-18-17-12-9-11-15(5-2)13-17/h9,11-13,16H,4-8,10,14H2,1-3H3
InChIKeyOAWHGGOLZJJNGE-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.23
Rot. Bonds9

About 1-ethyl-3-(2-ethylheptoxy)benzene

1-ethyl-3-(2-ethylheptoxy)benzene (PubChem CID 54140659) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-ethyl-3-(2-ethylheptoxy)benzene.

Molecular Properties

Compound Name1-ethyl-3-(2-ethylheptoxy)benzene
PubChem CID54140659
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-ethyl-3-(2-ethylheptoxy)benzene
SMILESCCCCCC(CC)COc1cccc(CC)c1
InChIInChI=1S/C17H28O/c1-4-7-8-10-16(6-3)14-18-17-12-9-11-15(5-2)13-17/h9,11-13,16H,4-8,10,14H2,1-3H3
InChIKeyOAWHGGOLZJJNGE-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(3-hydroxypropyl)phenoxy]methyl]hexan-1-ol
CID 139783783
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
1-(3-ethylphenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635591
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-(bromomethyl)-3-(2-ethylbutoxy)benzene
CID 82928230
1,3-bis(2-ethylbutoxy)benzene
CID 118415236
[4-(2-ethylheptoxy)phenyl]methanol
CID 142083933
3-[3-(2-ethylicosoxy)-2-hydroxypropoxy]phenol
CID 154641761
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
2-[3-(2-ethylbutoxy)phenyl]ethanamine
CID 82922399

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-ethylheptoxy)benzene?
The IUPAC name of 1-ethyl-3-(2-ethylheptoxy)benzene (CID 54140659) is 1-ethyl-3-(2-ethylheptoxy)benzene.
What is the SMILES notation for 1-ethyl-3-(2-ethylheptoxy)benzene?
The canonical SMILES for 1-ethyl-3-(2-ethylheptoxy)benzene is CCCCCC(CC)COc1cccc(CC)c1.
What is the InChIKey of 1-ethyl-3-(2-ethylheptoxy)benzene?
The InChIKey is OAWHGGOLZJJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-4-7-8-10-16(6-3)14-18-17-12-9-11-15(5-2)13-17/h9,11-13,16H,4-8,10,14H2,1-3H3.
What are the key properties of 1-ethyl-3-(2-ethylheptoxy)benzene?
1-ethyl-3-(2-ethylheptoxy)benzene has a molecular weight of 248.41 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-ethylheptoxy)benzene is sourced from PubChem (CID 54140659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).