buta-1,3-diene;hex-1-en-2-ylbenzene;styrene

C24H30 — CID 173447370

IUPACbuta-1,3-diene;hex-1-en-2-ylbenzene;styrene
SMILESC=C(CCCC)c1ccccc1.C=CC=C.C=Cc1ccccc1
InChIInChI=1S/C12H16.C8H8.C4H6/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-2-8-6-4-3-5-7-8;1-3-4-2/h5-7,9-10H,2-4,8H2,1H3;2-7H,1H2;3-4H,1-2H2
InChIKeyIIRYUXYJFSZNJN-UHFFFAOYSA-N
MW318.50 g/mol
LogP7.58
Rot. Bonds6

About buta-1,3-diene;hex-1-en-2-ylbenzene;styrene

buta-1,3-diene;hex-1-en-2-ylbenzene;styrene (PubChem CID 173447370) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is buta-1,3-diene;hex-1-en-2-ylbenzene;styrene.

Molecular Properties

Compound Namebuta-1,3-diene;hex-1-en-2-ylbenzene;styrene
PubChem CID173447370
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Namebuta-1,3-diene;hex-1-en-2-ylbenzene;styrene
SMILESC=C(CCCC)c1ccccc1.C=CC=C.C=Cc1ccccc1
InChIInChI=1S/C12H16.C8H8.C4H6/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-2-8-6-4-3-5-7-8;1-3-4-2/h5-7,9-10H,2-4,8H2,1H3;2-7H,1H2;3-4H,1-2H2
InChIKeyIIRYUXYJFSZNJN-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.58
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

hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
pent-1-en-2-ylbenzene
CID 521761
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CID 159487182
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2-methylidenehexanoic acid;2-methylidenepentanedioic acid;styrene
CID 89370738
N-pentylpentan-1-amine;styrene
CID 69462371
butane;2-methylbuta-1,3-diene;styrene
CID 161435264
bis(buta-1,3-diene);2-methylbuta-1,3-diene;styrene
CID 175235906
bis(prop-1-en-2-ylbenzene);styrene
CID 157311042
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
buta-1,3-diene;fluoromethane;styrene
CID 174915183
1-[(E)-3,3-dimethylbut-1-enyl]-4-hex-1-en-2-ylbenzene
CID 143048461

Frequently Asked Questions

What is the IUPAC name of buta-1,3-diene;hex-1-en-2-ylbenzene;styrene?
The IUPAC name of buta-1,3-diene;hex-1-en-2-ylbenzene;styrene (CID 173447370) is buta-1,3-diene;hex-1-en-2-ylbenzene;styrene.
What is the SMILES notation for buta-1,3-diene;hex-1-en-2-ylbenzene;styrene?
The canonical SMILES for buta-1,3-diene;hex-1-en-2-ylbenzene;styrene is C=C(CCCC)c1ccccc1.C=CC=C.C=Cc1ccccc1.
What is the InChIKey of buta-1,3-diene;hex-1-en-2-ylbenzene;styrene?
The InChIKey is IIRYUXYJFSZNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.C8H8.C4H6/c1-3-4-8-11(2)12-9-6-5-7-10-12;1-2-8-6-4-3-5-7-8;1-3-4-2/h5-7,9-10H,2-4,8H2,1H3;2-7H,1H2;3-4H,1-2H2.
What are the key properties of buta-1,3-diene;hex-1-en-2-ylbenzene;styrene?
buta-1,3-diene;hex-1-en-2-ylbenzene;styrene has a molecular weight of 318.50 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-diene;hex-1-en-2-ylbenzene;styrene is sourced from PubChem (CID 173447370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).