1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene

C20H24O3 — CID 174901065

IUPAC1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene
SMILESC=C(C)C(=O)OCC1CO1.C=C=C.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C7H10O3.C3H4/c1-3-9-7-5-6-8-10(9)4-2;1-5(2)7(8)10-4-6-3-9-6;1-3-2/h3-8H,1-2H2;6H,1,3-4H2,2H3;1-2H2
InChIKeyTXZQNXCHSPYSQZ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.43
Rot. Bonds5

About 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene

1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene (PubChem CID 174901065) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene
PubChem CID174901065
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene
SMILESC=C(C)C(=O)OCC1CO1.C=C=C.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C7H10O3.C3H4/c1-3-9-7-5-6-8-10(9)4-2;1-5(2)7(8)10-4-6-3-9-6;1-3-2/h3-8H,1-2H2;6H,1,3-4H2,2H3;1-2H2
InChIKeyTXZQNXCHSPYSQZ-UHFFFAOYSA-N
XLogP4.43
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139607372
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746
buta-1,3-dienylbenzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;styrene
CID 174763598
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
hexa-1,3,5-trienylbenzene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87932793
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
1-(chloromethyl)-4-ethenylbenzene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87558099
3-methylbut-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158470137
2-methylprop-2-enenitrile;oxiran-2-ylmethyl 2-methylprop-2-enoate;hydrate
CID 174885519
oxiran-2-ylmethyl 2-methyl-3-phenylpenta-2,4-dienoate
CID 174825427

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene?
The IUPAC name of 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene (CID 174901065) is 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene is C=C(C)C(=O)OCC1CO1.C=C=C.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene?
The InChIKey is TXZQNXCHSPYSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C7H10O3.C3H4/c1-3-9-7-5-6-8-10(9)4-2;1-5(2)7(8)10-4-6-3-9-6;1-3-2/h3-8H,1-2H2;6H,1,3-4H2,2H3;1-2H2.
What are the key properties of 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene?
1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene has a molecular weight of 312.41 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;oxiran-2-ylmethyl 2-methylprop-2-enoate;propa-1,2-diene is sourced from PubChem (CID 174901065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).