1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene

C15H18 — CID 6454102

IUPAC1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C5H8/c1-3-9-7-5-6-8-10(9)4-2;1-4-5(2)3/h3-8H,1-2H2;4H,1-2H2,3H3
InChIKeyVXYZJPYTBLPGST-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.72
Rot. Bonds3

About 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene

1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene (PubChem CID 6454102) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
PubChem CID6454102
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.C=Cc1ccccc1C=C
InChIInChI=1S/C10H10.C5H8/c1-3-9-7-5-6-8-10(9)4-2;1-4-5(2)3/h3-8H,1-2H2;4H,1-2H2,3H3
InChIKeyVXYZJPYTBLPGST-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylbuta-1,3-diene;naphthalene
CID 159864264
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
1,2-bis(ethenyl)benzene;2-methylprop-2-enamide
CID 70531006
CID 159564409
CID 159564409
1,2-bis(ethenyl)benzene;2-methylprop-2-enal;styrene
CID 161166540
ethane;1-ethenyl-2-(2-methylprop-1-enyl)benzene
CID 143654751
2-methylbuta-1,3-diene;styrene;hydrate
CID 87249473
calcium;1,2-bis(ethenyl)benzene;bis(2-methylprop-2-enoate)
CID 161431336
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene?
The IUPAC name of 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene (CID 6454102) is 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene?
The canonical SMILES for 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene is C=CC(=C)C.C=Cc1ccccc1C=C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene?
The InChIKey is VXYZJPYTBLPGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C5H8/c1-3-9-7-5-6-8-10(9)4-2;1-4-5(2)3/h3-8H,1-2H2;4H,1-2H2,3H3.
What are the key properties of 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene?
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene is sourced from PubChem (CID 6454102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).