1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene

C18H28O2 — CID 18762151

IUPAC1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene
SMILESC=Cc1cccc(OC(C)OCC(CC)CCCC)c1
InChIInChI=1S/C18H28O2/c1-5-8-10-17(7-3)14-19-15(4)20-18-12-9-11-16(6-2)13-18/h6,9,11-13,15,17H,2,5,7-8,10,14H2,1,3-4H3
InChIKeyUDEJXJLGDIWXSZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.29
Rot. Bonds10

About 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene

1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene (PubChem CID 18762151) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene
PubChem CID18762151
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene
SMILESC=Cc1cccc(OC(C)OCC(CC)CCCC)c1
InChIInChI=1S/C18H28O2/c1-5-8-10-17(7-3)14-19-15(4)20-18-12-9-11-16(6-2)13-18/h6,9,11-13,15,17H,2,5,7-8,10,14H2,1,3-4H3
InChIKeyUDEJXJLGDIWXSZ-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethenyl-3-hexan-3-yloxybenzene
CID 22475808
1-ethenyl-3-(1-propan-2-yloxyethoxy)benzene
CID 22184224
4-(2-ethylhexoxycarbonyl)penta-2,4-dienoic acid;styrene
CID 87319576
2-ethylhexyl 3-(3-propoxyphenyl)prop-2-enoate
CID 130331752
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
1-ethenyl-3-ethoxybenzene
CID 11672687
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
1-ethenyl-3-pentoxybenzene;N-ethylethanamine
CID 68645274
3-(2-ethylhexoxy)-5-(3-methoxyphenyl)penta-2,4-dienenitrile
CID 173226507
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
bis(2-ethylhexyl) 2-[(3,5-dimethoxyphenyl)methylidene]propanedioate
CID 69099655
tert-butyl prop-2-enoate;2-ethylhexyl prop-2-enoate;propane-1,2-diol;bis(prop-2-enoic acid);styrene
CID 170851505

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene?
The IUPAC name of 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene (CID 18762151) is 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene.
What is the SMILES notation for 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene?
The canonical SMILES for 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene is C=Cc1cccc(OC(C)OCC(CC)CCCC)c1.
What is the InChIKey of 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene?
The InChIKey is UDEJXJLGDIWXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-8-10-17(7-3)14-19-15(4)20-18-12-9-11-16(6-2)13-18/h6,9,11-13,15,17H,2,5,7-8,10,14H2,1,3-4H3.
What are the key properties of 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene?
1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene has a molecular weight of 276.42 g/mol, XLogP of 5.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[1-(2-ethylhexoxy)ethoxy]benzene is sourced from PubChem (CID 18762151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).