1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene

C16H24O2 — CID 67776293

IUPAC1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
SMILESC=Cc1ccc(CCOCCOCCCC)cc1
InChIInChI=1S/C16H24O2/c1-3-5-11-17-13-14-18-12-10-16-8-6-15(4-2)7-9-16/h4,6-9H,2-3,5,10-14H2,1H3
InChIKeyOAZQWIZNXBTGFY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.71
Rot. Bonds10

About 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene

1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene (PubChem CID 67776293) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene.

Molecular Properties

Compound Name1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
PubChem CID67776293
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
SMILESC=Cc1ccc(CCOCCOCCCC)cc1
InChIInChI=1S/C16H24O2/c1-3-5-11-17-13-14-18-12-10-16-8-6-15(4-2)7-9-16/h4,6-9H,2-3,5,10-14H2,1H3
InChIKeyOAZQWIZNXBTGFY-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.71
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

1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
4-(2-butoxyethyl)-1,2-bis(ethenyl)benzene
CID 142240951
1-ethenyl-4-[2-(2-iodoethoxy)ethyl]benzene
CID 155076269
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261
1-pentoxypentane;styrene
CID 174531543
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene?
The IUPAC name of 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene (CID 67776293) is 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene.
What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene?
The canonical SMILES for 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene is C=Cc1ccc(CCOCCOCCCC)cc1.
What is the InChIKey of 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene?
The InChIKey is OAZQWIZNXBTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-5-11-17-13-14-18-12-10-16-8-6-15(4-2)7-9-16/h4,6-9H,2-3,5,10-14H2,1H3.
What are the key properties of 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene?
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene has a molecular weight of 248.37 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene is sourced from PubChem (CID 67776293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).