1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene

C84H120O7 — CID 161207949

IUPAC1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
SMILESC=Cc1ccc(OCCCC)cc1.C=Cc1ccc(OCCCCCCC)cc1.C=Cc1ccc(OCCCCCCCCC)cc1.C=Cc1ccc(OCCCCOC)cc1.C=Cc1cccc(OCCCCC)c1.C=Cc1cccc(OCCCCCC)c1
InChIInChI=1S/C17H26O.C15H22O.C14H20O.C13H18O2.C13H18O.C12H16O/c1-3-5-6-7-8-9-10-15-18-17-13-11-16(4-2)12-14-17;1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15;1-3-5-6-7-11-15-14-10-8-9-13(4-2)12-14;1-3-12-6-8-13(9-7-12)15-11-5-4-10-14-2;1-3-5-6-10-14-13-9-7-8-12(4-2)11-13;1-3-5-10-13-12-8-6-11(4-2)7-9-12/h4,11-14H,2-3,5-10,15H2,1H3;4,9-12H,2-3,5-8,13H2,1H3;4,8-10,12H,2-3,5-7,11H2,1H3;3,6-9H,1,4-5,10-11H2,2H3;4,7-9,11H,2-3,5-6,10H2,1H3;4,6-9H,2-3,5,10H2,1H3
InChIKeyUVVWOSCGCNZSJA-UHFFFAOYSA-N
MW1241.88 g/mol
LogP24.97
Rot. Bonds43

About 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene

1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene (PubChem CID 161207949) has the molecular formula C84H120O7 and a molecular weight of 1241.88 g/mol. Its IUPAC name is 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene.

Molecular Properties

Compound Name1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
PubChem CID161207949
Molecular FormulaC84H120O7
Molecular Weight1241.88 g/mol
Exact Mass1240.90
IUPAC Name1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene
SMILESC=Cc1ccc(OCCCC)cc1.C=Cc1ccc(OCCCCCCC)cc1.C=Cc1ccc(OCCCCCCCCC)cc1.C=Cc1ccc(OCCCCOC)cc1.C=Cc1cccc(OCCCCC)c1.C=Cc1cccc(OCCCCCC)c1
InChIInChI=1S/C17H26O.C15H22O.C14H20O.C13H18O2.C13H18O.C12H16O/c1-3-5-6-7-8-9-10-15-18-17-13-11-16(4-2)12-14-17;1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15;1-3-5-6-7-11-15-14-10-8-9-13(4-2)12-14;1-3-12-6-8-13(9-7-12)15-11-5-4-10-14-2;1-3-5-6-10-14-13-9-7-8-12(4-2)11-13;1-3-5-10-13-12-8-6-11(4-2)7-9-12/h4,11-14H,2-3,5-10,15H2,1H3;4,9-12H,2-3,5-8,13H2,1H3;4,8-10,12H,2-3,5-7,11H2,1H3;3,6-9H,1,4-5,10-11H2,2H3;4,7-9,11H,2-3,5-6,10H2,1H3;4,6-9H,2-3,5,10H2,1H3
InChIKeyUVVWOSCGCNZSJA-UHFFFAOYSA-N
XLogP24.97
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds43
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001241.88
LogP ≤ 524.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene with MolForge

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Related Compounds

1-butoxy-4-ethenylbenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 159603141
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
1-ethenyl-3-pentoxybenzene;N-ethylethanamine
CID 68645274
1-butoxy-3-ethenylbenzene;1-ethenyl-3-ethoxybenzene;1-ethenyl-3-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-3-methoxybenzene;1-ethenyl-3-(4-methoxybutoxy)benzene;1-ethenyl-3-(2-methoxyethoxy)benzene;1-ethenyl-3-(methoxymethoxy)benzene;1-ethenyl-4-(methoxymethoxymethoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethoxymethyl)benzene;1-ethenyl-3-(3-methoxypropoxy)benzene;1-ethenyl-3-pentoxybenzene;1-ethenyl-3-propoxybenzene
CID 157425281
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
4-(3-ethenylphenoxy)-N,N-dipropylbutan-1-amine
CID 68645781
1,3-dihexadecoxybenzene
CID 12686834
1-octoxy-3-prop-2-enoxybenzene
CID 14202237
1-ethenyl-3-ethoxybenzene
CID 11672687
1-ethenyl-3-(6-methoxyhexoxy)benzene;1-ethenyl-4-(8-methoxyoctoxy)benzene;1-ethenyl-4-propoxybenzene;3-heptoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-hexoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene;3-(4-methoxybutoxy)bicyclo[4.2.0]octa-1(6),2,4-triene;4-pentoxyhepta-1,6-diene;3-propoxypenta-1,4-diene;3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 158039049
1-(4-decoxyphenyl)-N-(4-ethenylphenyl)methanimine
CID 59991212

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene?
The IUPAC name of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene (CID 161207949) is 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene.
What is the SMILES notation for 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene?
The canonical SMILES for 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene is C=Cc1ccc(OCCCC)cc1.C=Cc1ccc(OCCCCCCC)cc1.C=Cc1ccc(OCCCCCCCCC)cc1.C=Cc1ccc(OCCCCOC)cc1.C=Cc1cccc(OCCCCC)c1.C=Cc1cccc(OCCCCCC)c1.
What is the InChIKey of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene?
The InChIKey is UVVWOSCGCNZSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C15H22O.C14H20O.C13H18O2.C13H18O.C12H16O/c1-3-5-6-7-8-9-10-15-18-17-13-11-16(4-2)12-14-17;1-3-5-6-7-8-13-16-15-11-9-14(4-2)10-12-15;1-3-5-6-7-11-15-14-10-8-9-13(4-2)12-14;1-3-12-6-8-13(9-7-12)15-11-5-4-10-14-2;1-3-5-6-10-14-13-9-7-8-12(4-2)11-13;1-3-5-10-13-12-8-6-11(4-2)7-9-12/h4,11-14H,2-3,5-10,15H2,1H3;4,9-12H,2-3,5-8,13H2,1H3;4,8-10,12H,2-3,5-7,11H2,1H3;3,6-9H,1,4-5,10-11H2,2H3;4,7-9,11H,2-3,5-6,10H2,1H3;4,6-9H,2-3,5,10H2,1H3.
What are the key properties of 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene?
1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene has a molecular weight of 1241.88 g/mol, XLogP of 24.97, 43 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-ethenylbenzene;1-ethenyl-4-heptoxybenzene;1-ethenyl-3-hexoxybenzene;1-ethenyl-4-(4-methoxybutoxy)benzene;1-ethenyl-4-nonoxybenzene;1-ethenyl-3-pentoxybenzene is sourced from PubChem (CID 161207949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).