1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene

C15H22O — CID 83933692

IUPAC1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
SMILESC=CCC(CC)c1cc(C)ccc1OCC
InChIInChI=1S/C15H22O/c1-5-8-13(6-2)14-11-12(4)9-10-15(14)16-7-3/h5,9-11,13H,1,6-8H2,2-4H3
InChIKeyPXZGINRAJBRGSM-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.46
Rot. Bonds6

About 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene

1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene (PubChem CID 83933692) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene.

Molecular Properties

Compound Name1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
PubChem CID83933692
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
SMILESC=CCC(CC)c1cc(C)ccc1OCC
InChIInChI=1S/C15H22O/c1-5-8-13(6-2)14-11-12(4)9-10-15(14)16-7-3/h5,9-11,13H,1,6-8H2,2-4H3
InChIKeyPXZGINRAJBRGSM-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hex-5-en-3-yl-4-methylphenol
CID 83922900
1-chloro-4,5-diethoxy-2-hex-5-en-3-ylbenzene
CID 83943763
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672
2-ethoxy-6-hex-5-en-3-ylphenol
CID 83930785
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene?
The IUPAC name of 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene (CID 83933692) is 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene.
What is the SMILES notation for 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene?
The canonical SMILES for 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene is C=CCC(CC)c1cc(C)ccc1OCC.
What is the InChIKey of 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene?
The InChIKey is PXZGINRAJBRGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-5-8-13(6-2)14-11-12(4)9-10-15(14)16-7-3/h5,9-11,13H,1,6-8H2,2-4H3.
What are the key properties of 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene?
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene is sourced from PubChem (CID 83933692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).