1-ethenyl-4-(2-octoxyethoxymethyl)benzene

C19H30O2 — CID 156621378

IUPAC1-ethenyl-4-(2-octoxyethoxymethyl)benzene
SMILESC=Cc1ccc(COCCOCCCCCCCC)cc1
InChIInChI=1S/C19H30O2/c1-3-5-6-7-8-9-14-20-15-16-21-17-19-12-10-18(4-2)11-13-19/h4,10-13H,2-3,5-9,14-17H2,1H3
InChIKeyMDFJUJIKWQQGFZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.22
Rot. Bonds13

About 1-ethenyl-4-(2-octoxyethoxymethyl)benzene

1-ethenyl-4-(2-octoxyethoxymethyl)benzene (PubChem CID 156621378) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-ethenyl-4-(2-octoxyethoxymethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-octoxyethoxymethyl)benzene
PubChem CID156621378
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-ethenyl-4-(2-octoxyethoxymethyl)benzene
SMILESC=Cc1ccc(COCCOCCCCCCCC)cc1
InChIInChI=1S/C19H30O2/c1-3-5-6-7-8-9-14-20-15-16-21-17-19-12-10-18(4-2)11-13-19/h4,10-13H,2-3,5-9,14-17H2,1H3
InChIKeyMDFJUJIKWQQGFZ-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.22
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-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
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
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
1-pentoxypentane;styrene
CID 174531543
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-hexadecoxyethoxymethylbenzene
CID 19965709
3-[(4-ethenylphenyl)methoxy]propan-1-amine
CID 164938330

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-octoxyethoxymethyl)benzene?
The IUPAC name of 1-ethenyl-4-(2-octoxyethoxymethyl)benzene (CID 156621378) is 1-ethenyl-4-(2-octoxyethoxymethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(2-octoxyethoxymethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(2-octoxyethoxymethyl)benzene is C=Cc1ccc(COCCOCCCCCCCC)cc1.
What is the InChIKey of 1-ethenyl-4-(2-octoxyethoxymethyl)benzene?
The InChIKey is MDFJUJIKWQQGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-6-7-8-9-14-20-15-16-21-17-19-12-10-18(4-2)11-13-19/h4,10-13H,2-3,5-9,14-17H2,1H3.
What are the key properties of 1-ethenyl-4-(2-octoxyethoxymethyl)benzene?
1-ethenyl-4-(2-octoxyethoxymethyl)benzene has a molecular weight of 290.45 g/mol, XLogP of 5.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-octoxyethoxymethyl)benzene is sourced from PubChem (CID 156621378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).