1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene

C25H30O2 — CID 6454035

IUPAC1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
SMILESC=CC(=O)OCCCC.C=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C8H8.C7H12O2/c1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2/h3-8H,1-2H2;2-7H,1H2;4H,2-3,5-6H2,1H3
InChIKeyIWBUOAHJGJZERP-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.82
Rot. Bonds7

About 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene

1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene (PubChem CID 6454035) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
PubChem CID6454035
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene
SMILESC=CC(=O)OCCCC.C=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C8H8.C7H12O2/c1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2/h3-8H,1-2H2;2-7H,1H2;4H,2-3,5-6H2,1H3
InChIKeyIWBUOAHJGJZERP-UHFFFAOYSA-N
XLogP6.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene 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

butyl prop-2-enoate;styrene
CID 68545727
bis(butyl prop-2-enoate);styrene
CID 175337841
styrene;tridecyl prop-2-enoate
CID 70120047
dibutyl but-2-enedioate;styrene
CID 70528436
butyl prop-2-enoate;2-ethenyl-1,4-difluorobenzene;styrene
CID 122130554
butyl prop-2-enoate;styrene;2,2,2-trifluoroethyl prop-2-enoate
CID 67725211
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate;styrene
CID 70469548
butyl prop-2-enoate;hex-2-enedioic acid;styrene
CID 159185710
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid;styrene
CID 158235097
butyl prop-2-enoate;ethenyl(trimethyl)silane;methyl 2-methylprop-2-enoate;styrene
CID 174489864
butyl prop-2-enoate;1,2-xylene
CID 70409011
N-methylprop-2-enamide;octyl prop-2-enoate;prop-1-ene;styrene
CID 91287712

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene?
The IUPAC name of 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene (CID 6454035) is 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene is C=CC(=O)OCCCC.C=Cc1ccccc1.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene?
The InChIKey is IWBUOAHJGJZERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C8H8.C7H12O2/c1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;1-3-5-6-9-7(8)4-2/h3-8H,1-2H2;2-7H,1H2;4H,2-3,5-6H2,1H3.
What are the key properties of 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene?
1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene has a molecular weight of 362.51 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;butyl prop-2-enoate;styrene is sourced from PubChem (CID 6454035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).