benzene;buta-1,3-dienylbenzene;ethene

C18H20 — CID 174664809

IUPACbenzene;buta-1,3-dienylbenzene;ethene
SMILESC=C.C=CC=Cc1ccccc1.c1ccccc1
InChIInChI=1S/C10H10.C6H6.C2H4/c1-2-3-7-10-8-5-4-6-9-10;1-2-4-6-5-3-1;1-2/h2-9H,1H2;1-6H;1-2H2
InChIKeyWRJRBPCKAURKQK-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.37
Rot. Bonds2

About benzene;buta-1,3-dienylbenzene;ethene

benzene;buta-1,3-dienylbenzene;ethene (PubChem CID 174664809) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is benzene;buta-1,3-dienylbenzene;ethene.

Molecular Properties

Compound Namebenzene;buta-1,3-dienylbenzene;ethene
PubChem CID174664809
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Namebenzene;buta-1,3-dienylbenzene;ethene
SMILESC=C.C=CC=Cc1ccccc1.c1ccccc1
InChIInChI=1S/C10H10.C6H6.C2H4/c1-2-3-7-10-8-5-4-6-9-10;1-2-4-6-5-3-1;1-2/h2-9H,1H2;1-6H;1-2H2
InChIKeyWRJRBPCKAURKQK-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
carbonic acid;hexa-1,3,5-trienylbenzene
CID 118450762
buta-1,3-dienylbenzene;2-methylprop-2-enoic acid
CID 160671566
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
trimethyl-[(E)-3-phenylprop-2-enylidene]-lambda5-phosphane
CID 5463354
1-[(1E)-buta-1,3-dienyl]-4-(4-phenoxyphenyl)benzene
CID 141094206
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960

Frequently Asked Questions

What is the IUPAC name of benzene;buta-1,3-dienylbenzene;ethene?
The IUPAC name of benzene;buta-1,3-dienylbenzene;ethene (CID 174664809) is benzene;buta-1,3-dienylbenzene;ethene.
What is the SMILES notation for benzene;buta-1,3-dienylbenzene;ethene?
The canonical SMILES for benzene;buta-1,3-dienylbenzene;ethene is C=C.C=CC=Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;buta-1,3-dienylbenzene;ethene?
The InChIKey is WRJRBPCKAURKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C6H6.C2H4/c1-2-3-7-10-8-5-4-6-9-10;1-2-4-6-5-3-1;1-2/h2-9H,1H2;1-6H;1-2H2.
What are the key properties of benzene;buta-1,3-dienylbenzene;ethene?
benzene;buta-1,3-dienylbenzene;ethene has a molecular weight of 236.36 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;buta-1,3-dienylbenzene;ethene is sourced from PubChem (CID 174664809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).