3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane

C28H38O3 — CID 91320896

IUPAC3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane
SMILESC=Cc1ccc(COCCCCCCOc2ccc(CCC3(CC)COC3)cc2)cc1
InChIInChI=1S/C28H38O3/c1-3-24-9-11-26(12-10-24)21-29-19-7-5-6-8-20-31-27-15-13-25(14-16-27)17-18-28(4-2)22-30-23-28/h3,9-16H,1,4-8,17-23H2,2H3
InChIKeyCVUPQNXPKUZIFY-UHFFFAOYSA-N
MW422.61 g/mol
LogP6.84
Rot. Bonds15

About 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane

3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane (PubChem CID 91320896) has the molecular formula C28H38O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane.

Molecular Properties

Compound Name3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane
PubChem CID91320896
Molecular FormulaC28H38O3
Molecular Weight422.61 g/mol
Exact Mass422.28
IUPAC Name3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane
SMILESC=Cc1ccc(COCCCCCCOc2ccc(CCC3(CC)COC3)cc2)cc1
InChIInChI=1S/C28H38O3/c1-3-24-9-11-26(12-10-24)21-29-19-7-5-6-8-20-31-27-15-13-25(14-16-27)17-18-28(4-2)22-30-23-28/h3,9-16H,1,4-8,17-23H2,2H3
InChIKeyCVUPQNXPKUZIFY-UHFFFAOYSA-N
XLogP6.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane with MolForge

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Related Compounds

1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
1-ethenyl-4-(2-octoxyethoxymethyl)benzene
CID 156621378
1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-undecoxybenzene
CID 174770051
dichloro-[3-[(4-ethenylphenyl)methoxy]propyl]-methylsilane
CID 54364407
3-ethyl-3-[[6-(8-prop-2-enoxyoctoxy)naphthalen-2-yl]oxymethyl]oxetane
CID 59711354
16-[(4-ethenylphenyl)methoxy]hexadecan-1-amine
CID 176835378
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1-[2-(2-butoxyethoxy)ethyl]-4-ethenylbenzene
CID 67776293
4-[8-[4-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]phenoxy]octoxy]phenol
CID 59711338
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane?
The IUPAC name of 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane (CID 91320896) is 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane.
What is the SMILES notation for 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane?
The canonical SMILES for 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane is C=Cc1ccc(COCCCCCCOc2ccc(CCC3(CC)COC3)cc2)cc1.
What is the InChIKey of 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane?
The InChIKey is CVUPQNXPKUZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38O3/c1-3-24-9-11-26(12-10-24)21-29-19-7-5-6-8-20-31-27-15-13-25(14-16-27)17-18-28(4-2)22-30-23-28/h3,9-16H,1,4-8,17-23H2,2H3.
What are the key properties of 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane?
3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane has a molecular weight of 422.61 g/mol, XLogP of 6.84, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[6-[(4-ethenylphenyl)methoxy]hexoxy]phenyl]ethyl]-3-ethyloxetane is sourced from PubChem (CID 91320896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).