1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene

C151H214O19 — CID 157248337

IUPAC1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene
SMILESC=Cc1ccc(COCCCC)cc1.C=Cc1ccc(COCCCCC)cc1.C=Cc1ccc(COCCCCCC)cc1.C=Cc1ccc(COCCCCCCC)cc1.C=Cc1ccc(COCCCCCCOC)cc1.C=Cc1ccc(COCCCCCOC)cc1.C=Cc1ccc(COCCCCOC)cc1.C=Cc1ccc(COCCCOC)cc1.C=Cc1ccc(COCCOC)cc1.C=Cc1ccc(COCOC)cc1.C=Cc1ccc(COCOCOC)cc1
InChIInChI=1S/C16H24O2.C16H24O.C15H22O2.C15H22O.C14H20O2.C14H20O.C13H18O2.C13H18O.C12H16O3.C12H16O2.C11H14O2/c1-3-15-8-10-16(11-9-15)14-18-13-7-5-4-6-12-17-2;1-3-5-6-7-8-13-17-14-16-11-9-15(4-2)10-12-16;1-3-14-7-9-15(10-8-14)13-17-12-6-4-5-11-16-2;1-3-5-6-7-12-16-13-15-10-8-14(4-2)9-11-15;1-3-13-6-8-14(9-7-13)12-16-11-5-4-10-15-2;1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14;1-3-12-5-7-13(8-6-12)11-15-10-4-9-14-2;1-3-5-10-14-11-13-8-6-12(4-2)7-9-13;1-3-11-4-6-12(7-5-11)8-14-10-15-9-13-2;1-3-11-4-6-12(7-5-11)10-14-9-8-13-2;1-3-10-4-6-11(7-5-10)8-13-9-12-2/h3,8-11H,1,4-7,12-14H2,2H3;4,9-12H,2-3,5-8,13-14H2,1H3;3,7-10H,1,4-6,11-13H2,2H3;4,8-11H,2-3,5-7,12-13H2,1H3;3,6-9H,1,4-5,10-12H2,2H3;4,7-10H,2-3,5-6,11-12H2,1H3;3,5-8H,1,4,9-11H2,2H3;4,6-9H,2-3,5,10-11H2,1H3;3-7H,1,8-10H2,2H3;3-7H,1,8-10H2,2H3;3-7H,1,8-9H2,2H3
InChIKeyAWAWDHUVHQNXEJ-UHFFFAOYSA-N
MW2333.35 g/mol
LogP38.16
Rot. Bonds82

About 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene

1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene (PubChem CID 157248337) has the molecular formula C151H214O19 and a molecular weight of 2333.35 g/mol. Its IUPAC name is 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene.

Molecular Properties

Compound Name1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene
PubChem CID157248337
Molecular FormulaC151H214O19
Molecular Weight2333.35 g/mol
Exact Mass2331.58
IUPAC Name1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene
SMILESC=Cc1ccc(COCCCC)cc1.C=Cc1ccc(COCCCCC)cc1.C=Cc1ccc(COCCCCCC)cc1.C=Cc1ccc(COCCCCCCC)cc1.C=Cc1ccc(COCCCCCCOC)cc1.C=Cc1ccc(COCCCCCOC)cc1.C=Cc1ccc(COCCCCOC)cc1.C=Cc1ccc(COCCCOC)cc1.C=Cc1ccc(COCCOC)cc1.C=Cc1ccc(COCOC)cc1.C=Cc1ccc(COCOCOC)cc1
InChIInChI=1S/C16H24O2.C16H24O.C15H22O2.C15H22O.C14H20O2.C14H20O.C13H18O2.C13H18O.C12H16O3.C12H16O2.C11H14O2/c1-3-15-8-10-16(11-9-15)14-18-13-7-5-4-6-12-17-2;1-3-5-6-7-8-13-17-14-16-11-9-15(4-2)10-12-16;1-3-14-7-9-15(10-8-14)13-17-12-6-4-5-11-16-2;1-3-5-6-7-12-16-13-15-10-8-14(4-2)9-11-15;1-3-13-6-8-14(9-7-13)12-16-11-5-4-10-15-2;1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14;1-3-12-5-7-13(8-6-12)11-15-10-4-9-14-2;1-3-5-10-14-11-13-8-6-12(4-2)7-9-13;1-3-11-4-6-12(7-5-11)8-14-10-15-9-13-2;1-3-11-4-6-12(7-5-11)10-14-9-8-13-2;1-3-10-4-6-11(7-5-10)8-13-9-12-2/h3,8-11H,1,4-7,12-14H2,2H3;4,9-12H,2-3,5-8,13-14H2,1H3;3,7-10H,1,4-6,11-13H2,2H3;4,8-11H,2-3,5-7,12-13H2,1H3;3,6-9H,1,4-5,10-12H2,2H3;4,7-10H,2-3,5-6,11-12H2,1H3;3,5-8H,1,4,9-11H2,2H3;4,6-9H,2-3,5,10-11H2,1H3;3-7H,1,8-10H2,2H3;3-7H,1,8-10H2,2H3;3-7H,1,8-9H2,2H3
InChIKeyAWAWDHUVHQNXEJ-UHFFFAOYSA-N
XLogP38.16
TPSA175.37 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds82
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002333.35
LogP ≤ 538.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene?
The IUPAC name of 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene (CID 157248337) is 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene.
What is the SMILES notation for 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene?
The canonical SMILES for 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene is C=Cc1ccc(COCCCC)cc1.C=Cc1ccc(COCCCCC)cc1.C=Cc1ccc(COCCCCCC)cc1.C=Cc1ccc(COCCCCCCC)cc1.C=Cc1ccc(COCCCCCCOC)cc1.C=Cc1ccc(COCCCCCOC)cc1.C=Cc1ccc(COCCCCOC)cc1.C=Cc1ccc(COCCCOC)cc1.C=Cc1ccc(COCCOC)cc1.C=Cc1ccc(COCOC)cc1.C=Cc1ccc(COCOCOC)cc1.
What is the InChIKey of 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene?
The InChIKey is AWAWDHUVHQNXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2.C16H24O.C15H22O2.C15H22O.C14H20O2.C14H20O.C13H18O2.C13H18O.C12H16O3.C12H16O2.C11H14O2/c1-3-15-8-10-16(11-9-15)14-18-13-7-5-4-6-12-17-2;1-3-5-6-7-8-13-17-14-16-11-9-15(4-2)10-12-16;1-3-14-7-9-15(10-8-14)13-17-12-6-4-5-11-16-2;1-3-5-6-7-12-16-13-15-10-8-14(4-2)9-11-15;1-3-13-6-8-14(9-7-13)12-16-11-5-4-10-15-2;1-3-5-6-11-15-12-14-9-7-13(4-2)8-10-14;1-3-12-5-7-13(8-6-12)11-15-10-4-9-14-2;1-3-5-10-14-11-13-8-6-12(4-2)7-9-13;1-3-11-4-6-12(7-5-11)8-14-10-15-9-13-2;1-3-11-4-6-12(7-5-11)10-14-9-8-13-2;1-3-10-4-6-11(7-5-10)8-13-9-12-2/h3,8-11H,1,4-7,12-14H2,2H3;4,9-12H,2-3,5-8,13-14H2,1H3;3,7-10H,1,4-6,11-13H2,2H3;4,8-11H,2-3,5-7,12-13H2,1H3;3,6-9H,1,4-5,10-12H2,2H3;4,7-10H,2-3,5-6,11-12H2,1H3;3,5-8H,1,4,9-11H2,2H3;4,6-9H,2-3,5,10-11H2,1H3;3-7H,1,8-10H2,2H3;3-7H,1,8-10H2,2H3;3-7H,1,8-9H2,2H3.
What are the key properties of 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene?
1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene has a molecular weight of 2333.35 g/mol, XLogP of 38.16, 82 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-4-ethenylbenzene;1-ethenyl-4-(heptoxymethyl)benzene;1-ethenyl-4-(hexoxymethyl)benzene;1-ethenyl-4-(4-methoxybutoxymethyl)benzene;1-ethenyl-4-(2-methoxyethoxymethyl)benzene;1-ethenyl-4-(6-methoxyhexoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethoxymethyl)benzene;1-ethenyl-4-(methoxymethoxymethyl)benzene;1-ethenyl-4-(5-methoxypentoxymethyl)benzene;1-ethenyl-4-(3-methoxypropoxymethyl)benzene;1-ethenyl-4-(pentoxymethyl)benzene is sourced from PubChem (CID 157248337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).