1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene

C22H24O — CID 161166540

IUPAC1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
SMILESC=C(C)C=O.C=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C8H8.C4H6O/c1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;1-4(2)3-5/h3-8H,1-2H2;2-7H,1H2;3H,1H2,2H3
InChIKeyUQPOSUYJVBOWSB-UHFFFAOYSA-N
MW304.43 g/mol
LogP6.06
Rot. Bonds4

About 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene

1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene (PubChem CID 161166540) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
PubChem CID161166540
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
SMILESC=C(C)C=O.C=Cc1ccccc1.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C8H8.C4H6O/c1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;1-4(2)3-5/h3-8H,1-2H2;2-7H,1H2;3H,1H2,2H3
InChIKeyUQPOSUYJVBOWSB-UHFFFAOYSA-N
XLogP6.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
buta-1,3-diene;2-methylprop-1-ene;styrene
CID 159487182
1-phenylethanone;styrene
CID 19811140
CID 159564409
CID 159564409
ethane;2-methylprop-2-enoic acid;styrene
CID 174478215
prop-1-en-2-ylphosphonic acid;styrene
CID 160761452
bis(buta-1,3-diene);2-methylprop-2-enoic acid;styrene
CID 173015900
butane;2-methylbuta-1,3-diene;styrene
CID 161435264
sodium;prop-2-enoic acid;prop-1-en-2-ylbenzene;styrene
CID 56843857

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene?
The IUPAC name of 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene (CID 161166540) is 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene is C=C(C)C=O.C=Cc1ccccc1.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene?
The InChIKey is UQPOSUYJVBOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C8H8.C4H6O/c1-3-9-7-5-6-8-10(9)4-2;1-2-8-6-4-3-5-7-8;1-4(2)3-5/h3-8H,1-2H2;2-7H,1H2;3H,1H2,2H3.
What are the key properties of 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene?
1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene has a molecular weight of 304.43 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene is sourced from PubChem (CID 161166540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).