3,5-diethoxypentylbenzene

C15H24O2 — CID 156769250

IUPAC3,5-diethoxypentylbenzene
SMILESCCOCCC(CCc1ccccc1)OCC
InChIInChI=1S/C15H24O2/c1-3-16-13-12-15(17-4-2)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyRKLVPJHXGDDAOE-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.45
Rot. Bonds9

About 3,5-diethoxypentylbenzene

3,5-diethoxypentylbenzene (PubChem CID 156769250) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,5-diethoxypentylbenzene.

Molecular Properties

Compound Name3,5-diethoxypentylbenzene
PubChem CID156769250
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name3,5-diethoxypentylbenzene
SMILESCCOCCC(CCc1ccccc1)OCC
InChIInChI=1S/C15H24O2/c1-3-16-13-12-15(17-4-2)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyRKLVPJHXGDDAOE-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.45
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

[5,5-diethoxy-3-(3-methylbutoxy)pentyl]benzene
CID 71383867
6-ethoxyhexylbenzene
CID 54300935
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940
[ethoxy(2-ethoxyethoxy)methyl]benzene
CID 139725273
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
2-(ethoxymethyl)-4-phenylbutan-1-ol
CID 174416866
[(2R)-4-ethoxybutan-2-yl]benzene
CID 67208388
1-(2-ethoxyethyl)-4-phenylbenzene
CID 70520458
4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
3,4-dimethylhexylbenzene
CID 72602417
1-phenylpentan-3-yl formate
CID 58248129

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxypentylbenzene?
The IUPAC name of 3,5-diethoxypentylbenzene (CID 156769250) is 3,5-diethoxypentylbenzene.
What is the SMILES notation for 3,5-diethoxypentylbenzene?
The canonical SMILES for 3,5-diethoxypentylbenzene is CCOCCC(CCc1ccccc1)OCC.
What is the InChIKey of 3,5-diethoxypentylbenzene?
The InChIKey is RKLVPJHXGDDAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-16-13-12-15(17-4-2)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of 3,5-diethoxypentylbenzene?
3,5-diethoxypentylbenzene has a molecular weight of 236.36 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxypentylbenzene is sourced from PubChem (CID 156769250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).