1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate

C17H20O2 — CID 174791645

IUPAC1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C.C=Cc1ccc(C=C)cc1
InChIInChI=1S/C10H10.C7H10O2/c1-3-9-5-7-10(4-2)8-6-9;1-4-5-9-7(8)6(2)3/h3-8H,1-2H2;4H,1-2,5H2,3H3
InChIKeyNYAOSFWQLSBISJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.26
Rot. Bonds5

About 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate

1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate (PubChem CID 174791645) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
PubChem CID174791645
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C.C=Cc1ccc(C=C)cc1
InChIInChI=1S/C10H10.C7H10O2/c1-3-9-5-7-10(4-2)8-6-9;1-4-5-9-7(8)6(2)3/h3-8H,1-2H2;4H,1-2,5H2,3H3
InChIKeyNYAOSFWQLSBISJ-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
[4-(4-ethenylphenyl)phenyl] 2-methylprop-2-enoate
CID 90249392
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
2-[bis(prop-2-enyl)amino]ethyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 69095633
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
1-(chloromethyl)-4-ethenylbenzene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87558099
butyl 2-methylprop-2-enoate;1-ethenyl-4-methylbenzene;hexyl 2-methylidenebutanoate
CID 67896874
3-[4-[4-[3-(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]phenoxy]prop-2-enyl 2-methylprop-2-enoate
CID 123863049

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate (CID 174791645) is 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate is C=CCOC(=O)C(=C)C.C=Cc1ccc(C=C)cc1.
What is the InChIKey of 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is NYAOSFWQLSBISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C7H10O2/c1-3-9-5-7-10(4-2)8-6-9;1-4-5-9-7(8)6(2)3/h3-8H,1-2H2;4H,1-2,5H2,3H3.
What are the key properties of 1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate?
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 4.26, 5 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;prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 174791645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).