ethane;1-hex-5-en-3-yl-4-methoxybenzene

C15H24O — CID 142172169

IUPACethane;1-hex-5-en-3-yl-4-methoxybenzene
SMILESC=CCC(CC)c1ccc(OC)cc1.CC
InChIInChI=1S/C13H18O.C2H6/c1-4-6-11(5-2)12-7-9-13(14-3)10-8-12;1-2/h4,7-11H,1,5-6H2,2-3H3;1-2H3
InChIKeyREDKRSKNLPQNRQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.79
Rot. Bonds5

About ethane;1-hex-5-en-3-yl-4-methoxybenzene

ethane;1-hex-5-en-3-yl-4-methoxybenzene (PubChem CID 142172169) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;1-hex-5-en-3-yl-4-methoxybenzene.

Molecular Properties

Compound Nameethane;1-hex-5-en-3-yl-4-methoxybenzene
PubChem CID142172169
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Nameethane;1-hex-5-en-3-yl-4-methoxybenzene
SMILESC=CCC(CC)c1ccc(OC)cc1.CC
InChIInChI=1S/C13H18O.C2H6/c1-4-6-11(5-2)12-7-9-13(14-3)10-8-12;1-2/h4,7-11H,1,5-6H2,2-3H3;1-2H3
InChIKeyREDKRSKNLPQNRQ-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.79
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

1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
methyl 4-[(3R)-hex-5-en-3-yl]benzoate
CID 129405819
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
1-methoxy-4-[1-[2-(4-methoxyphenyl)butoxy]butan-2-yl]benzene
CID 139824565
1-bromo-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 11255568
1-butyl-4-hex-5-en-3-ylbenzene
CID 83921804
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
2-tert-butyl-4-hex-5-en-3-yl-1-methylbenzene
CID 83939238
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
3-(4-methoxyphenyl)hex-5-en-1-ynyl-trimethylsilane
CID 24769802
4-hex-5-en-3-yl-1,2-dipropoxybenzene
CID 83932033

Frequently Asked Questions

What is the IUPAC name of ethane;1-hex-5-en-3-yl-4-methoxybenzene?
The IUPAC name of ethane;1-hex-5-en-3-yl-4-methoxybenzene (CID 142172169) is ethane;1-hex-5-en-3-yl-4-methoxybenzene.
What is the SMILES notation for ethane;1-hex-5-en-3-yl-4-methoxybenzene?
The canonical SMILES for ethane;1-hex-5-en-3-yl-4-methoxybenzene is C=CCC(CC)c1ccc(OC)cc1.CC.
What is the InChIKey of ethane;1-hex-5-en-3-yl-4-methoxybenzene?
The InChIKey is REDKRSKNLPQNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-4-6-11(5-2)12-7-9-13(14-3)10-8-12;1-2/h4,7-11H,1,5-6H2,2-3H3;1-2H3.
What are the key properties of ethane;1-hex-5-en-3-yl-4-methoxybenzene?
ethane;1-hex-5-en-3-yl-4-methoxybenzene has a molecular weight of 220.36 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hex-5-en-3-yl-4-methoxybenzene is sourced from PubChem (CID 142172169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).