4-ethylnonan-5-ylbenzene

C17H28 — CID 173025957

IUPAC4-ethylnonan-5-ylbenzene
SMILESCCCCC(c1ccccc1)C(CC)CCC
InChIInChI=1S/C17H28/c1-4-7-14-17(15(6-3)11-5-2)16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3
InChIKeyJRPHAGIZBPPFLN-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.79
Rot. Bonds8

About 4-ethylnonan-5-ylbenzene

4-ethylnonan-5-ylbenzene (PubChem CID 173025957) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 4-ethylnonan-5-ylbenzene.

Molecular Properties

Compound Name4-ethylnonan-5-ylbenzene
PubChem CID173025957
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name4-ethylnonan-5-ylbenzene
SMILESCCCCC(c1ccccc1)C(CC)CCC
InChIInChI=1S/C17H28/c1-4-7-14-17(15(6-3)11-5-2)16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3
InChIKeyJRPHAGIZBPPFLN-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-ethynyl-2-phenylhexyl)benzene
CID 172706248
5-methylundecan-6-ylbenzene
CID 173025924
(2R,3R)-3-phenyl-2-propylpentane-1,5-diol
CID 135006728
2-(4-ethyldecan-5-yl)phenol
CID 66865491
heptan-3-ylbenzene;methane
CID 159006232
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
3-ethyl-2-phenylhexanoic acid
CID 143465377
2-(4-propylnonan-5-yl)phenol
CID 66866241
CID 173139841
CID 173139841
1-phenyl-2-propylpentan-1-ol
CID 82987900
[(1S)-1-phenylpentyl]hydrazine
CID 124537681

Frequently Asked Questions

What is the IUPAC name of 4-ethylnonan-5-ylbenzene?
The IUPAC name of 4-ethylnonan-5-ylbenzene (CID 173025957) is 4-ethylnonan-5-ylbenzene.
What is the SMILES notation for 4-ethylnonan-5-ylbenzene?
The canonical SMILES for 4-ethylnonan-5-ylbenzene is CCCCC(c1ccccc1)C(CC)CCC.
What is the InChIKey of 4-ethylnonan-5-ylbenzene?
The InChIKey is JRPHAGIZBPPFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-4-7-14-17(15(6-3)11-5-2)16-12-9-8-10-13-16/h8-10,12-13,15,17H,4-7,11,14H2,1-3H3.
What are the key properties of 4-ethylnonan-5-ylbenzene?
4-ethylnonan-5-ylbenzene has a molecular weight of 232.41 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnonan-5-ylbenzene is sourced from PubChem (CID 173025957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).