4-hex-5-en-3-yl-1,2-dipropoxybenzene

C18H28O2 — CID 83932033

IUPAC4-hex-5-en-3-yl-1,2-dipropoxybenzene
SMILESC=CCC(CC)c1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C18H28O2/c1-5-9-15(8-4)16-10-11-17(19-12-6-2)18(14-16)20-13-7-3/h5,10-11,14-15H,1,6-9,12-13H2,2-4H3
InChIKeyZUDKRHCJSUWGPP-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.33
Rot. Bonds10

About 4-hex-5-en-3-yl-1,2-dipropoxybenzene

4-hex-5-en-3-yl-1,2-dipropoxybenzene (PubChem CID 83932033) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-hex-5-en-3-yl-1,2-dipropoxybenzene.

Molecular Properties

Compound Name4-hex-5-en-3-yl-1,2-dipropoxybenzene
PubChem CID83932033
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name4-hex-5-en-3-yl-1,2-dipropoxybenzene
SMILESC=CCC(CC)c1ccc(OCCC)c(OCCC)c1
InChIInChI=1S/C18H28O2/c1-5-9-15(8-4)16-10-11-17(19-12-6-2)18(14-16)20-13-7-3/h5,10-11,14-15H,1,6-9,12-13H2,2-4H3
InChIKeyZUDKRHCJSUWGPP-UHFFFAOYSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-4-hex-5-en-3-yl-1-(2-methylpropoxy)benzene
CID 83934607
6-(3,4-dipropoxyphenyl)octan-3-one
CID 83931984
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
4-(1-bromo-2-ethylbutyl)-1,2-dipropoxybenzene
CID 63440246
2-hex-5-en-3-yl-1,3-dimethyl-5-propoxybenzene
CID 83940386
4-hex-5-yn-3-yl-2-methoxy-1-propoxybenzene
CID 83938505
2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
4-(1-bromo-2,2-dimethylpropyl)-1,2-dipropoxybenzene
CID 63440204
1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
CID 79304001
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101

Frequently Asked Questions

What is the IUPAC name of 4-hex-5-en-3-yl-1,2-dipropoxybenzene?
The IUPAC name of 4-hex-5-en-3-yl-1,2-dipropoxybenzene (CID 83932033) is 4-hex-5-en-3-yl-1,2-dipropoxybenzene.
What is the SMILES notation for 4-hex-5-en-3-yl-1,2-dipropoxybenzene?
The canonical SMILES for 4-hex-5-en-3-yl-1,2-dipropoxybenzene is C=CCC(CC)c1ccc(OCCC)c(OCCC)c1.
What is the InChIKey of 4-hex-5-en-3-yl-1,2-dipropoxybenzene?
The InChIKey is ZUDKRHCJSUWGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-9-15(8-4)16-10-11-17(19-12-6-2)18(14-16)20-13-7-3/h5,10-11,14-15H,1,6-9,12-13H2,2-4H3.
What are the key properties of 4-hex-5-en-3-yl-1,2-dipropoxybenzene?
4-hex-5-en-3-yl-1,2-dipropoxybenzene has a molecular weight of 276.42 g/mol, XLogP of 5.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-5-en-3-yl-1,2-dipropoxybenzene is sourced from PubChem (CID 83932033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).