1,4-bis(ethenyl)benzene;ethenyl propanoate

C15H18O2 — CID 174939231

IUPAC1,4-bis(ethenyl)benzene;ethenyl propanoate
SMILESC=COC(=O)CC.C=Cc1ccc(C=C)cc1
InChIInChI=1S/C10H10.C5H8O2/c1-3-9-5-7-10(4-2)8-6-9;1-3-5(6)7-4-2/h3-8H,1-2H2;4H,2-3H2,1H3
InChIKeyGLOLQHRVXGTWLW-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.06
Rot. Bonds4

About 1,4-bis(ethenyl)benzene;ethenyl propanoate

1,4-bis(ethenyl)benzene;ethenyl propanoate (PubChem CID 174939231) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,4-bis(ethenyl)benzene;ethenyl propanoate.

Molecular Properties

Compound Name1,4-bis(ethenyl)benzene;ethenyl propanoate
PubChem CID174939231
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1,4-bis(ethenyl)benzene;ethenyl propanoate
SMILESC=COC(=O)CC.C=Cc1ccc(C=C)cc1
InChIInChI=1S/C10H10.C5H8O2/c1-3-9-5-7-10(4-2)8-6-9;1-3-5(6)7-4-2/h3-8H,1-2H2;4H,2-3H2,1H3
InChIKeyGLOLQHRVXGTWLW-UHFFFAOYSA-N
XLogP4.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

but-3-enoic acid;ethenyl propanoate
CID 157316958
(3-ethenyl-5-propanoyloxyphenyl) propanoate
CID 21433030
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
1-(4-ethenylphenyl)pentan-3-one
CID 20804902
[(1Z)-2-ethenoxybuta-1,3-dienyl] propanoate
CID 141450045
1,4-bis(ethenyl)benzene;urea
CID 18766675
chloroethene;ethenyl acetate;styrene
CID 87524858
2-(4-ethenylphenyl)ethenyl acetate
CID 66777541
propyl 2-(4-ethenylphenoxy)acetate
CID 23504150
(4-ethenylphenyl) 4-oxopentanoate
CID 59301728
but-2-enedioic acid;ethenyl acetate;styrene
CID 159833587
2-phenylethenyl propanoate
CID 15502186

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)benzene;ethenyl propanoate?
The IUPAC name of 1,4-bis(ethenyl)benzene;ethenyl propanoate (CID 174939231) is 1,4-bis(ethenyl)benzene;ethenyl propanoate.
What is the SMILES notation for 1,4-bis(ethenyl)benzene;ethenyl propanoate?
The canonical SMILES for 1,4-bis(ethenyl)benzene;ethenyl propanoate is C=COC(=O)CC.C=Cc1ccc(C=C)cc1.
What is the InChIKey of 1,4-bis(ethenyl)benzene;ethenyl propanoate?
The InChIKey is GLOLQHRVXGTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C5H8O2/c1-3-9-5-7-10(4-2)8-6-9;1-3-5(6)7-4-2/h3-8H,1-2H2;4H,2-3H2,1H3.
What are the key properties of 1,4-bis(ethenyl)benzene;ethenyl propanoate?
1,4-bis(ethenyl)benzene;ethenyl propanoate has a molecular weight of 230.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)benzene;ethenyl propanoate is sourced from PubChem (CID 174939231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).