1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene

C23H28O4 — CID 159641511

IUPAC1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
SMILESC=Cc1cccc(COCCOCOCCOCc2cccc(C=C)c2)c1
InChIInChI=1S/C23H28O4/c1-3-20-7-5-9-22(15-20)17-24-11-13-26-19-27-14-12-25-18-23-10-6-8-21(4-2)16-23/h3-10,15-16H,1-2,11-14,17-19H2
InChIKeySSUXZDUOAWSIBJ-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.70
Rot. Bonds14

About 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene

1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene (PubChem CID 159641511) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene.

Molecular Properties

Compound Name1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
PubChem CID159641511
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene
SMILESC=Cc1cccc(COCCOCOCCOCc2cccc(C=C)c2)c1
InChIInChI=1S/C23H28O4/c1-3-20-7-5-9-22(15-20)17-24-11-13-26-19-27-14-12-25-18-23-10-6-8-21(4-2)16-23/h3-10,15-16H,1-2,11-14,17-19H2
InChIKeySSUXZDUOAWSIBJ-UHFFFAOYSA-N
XLogP4.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
1-ethenyl-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 86122980
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
1-ethenyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)benzene
CID 100997120
3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
CID 139617910
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
1,3,5-tribromo-2-[(3-ethenylphenyl)methoxy]benzene
CID 139773230
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-bromo-4-[4-[(3-ethenylphenyl)methoxy]phenyl]benzene
CID 139773227
(3-ethenylphenyl)methoxy-ethyl-dimethoxysilane
CID 154075107
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
1-(2-methoxyethoxymethyl)-3-prop-2-enylbenzene
CID 165448136

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene?
The IUPAC name of 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene (CID 159641511) is 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene.
What is the SMILES notation for 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene?
The canonical SMILES for 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene is C=Cc1cccc(COCCOCOCCOCc2cccc(C=C)c2)c1.
What is the InChIKey of 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene?
The InChIKey is SSUXZDUOAWSIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-3-20-7-5-9-22(15-20)17-24-11-13-26-19-27-14-12-25-18-23-10-6-8-21(4-2)16-23/h3-10,15-16H,1-2,11-14,17-19H2.
What are the key properties of 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene?
1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene has a molecular weight of 368.47 g/mol, XLogP of 4.70, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[2-[2-[(3-ethenylphenyl)methoxy]ethoxymethoxy]ethoxymethyl]benzene is sourced from PubChem (CID 159641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).