1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene

C15H16 — CID 156839306

IUPAC1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
SMILESC=C/C=C(\C=C)c1cccc(C(=C)C)c1
InChIInChI=1S/C15H16/c1-5-8-13(6-2)15-10-7-9-14(11-15)12(3)4/h5-11H,1-3H2,4H3/b13-8+
InChIKeyMWRUXLXIAKMHLI-MDWZMJQESA-N
MW196.29 g/mol
LogP4.48
Rot. Bonds4

About 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene

1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene (PubChem CID 156839306) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
PubChem CID156839306
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
SMILESC=C/C=C(\C=C)c1cccc(C(=C)C)c1
InChIInChI=1S/C15H16/c1-5-8-13(6-2)15-10-7-9-14(11-15)12(3)4/h5-11H,1-3H2,4H3/b13-8+
InChIKeyMWRUXLXIAKMHLI-MDWZMJQESA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.48
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

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 144938700
(1E)-N,N-dimethyl-2-(3-prop-1-en-2-ylphenyl)buta-1,3-dien-1-amine
CID 145086695
3-[(3E)-hexa-1,3,5-trien-3-yl]benzoic acid
CID 118859642
1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 145141155
2-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145390884
1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene
CID 144787986
N-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-phenylaniline
CID 145280393
3-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-(methylideneamino)methylidene]-N'-methylbenzenecarboximidamide
CID 144989732
[3-[(3E)-5-methylhexa-1,3,5-trien-3-yl]phenyl]-phenylmethanone
CID 167178533
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene (CID 156839306) is 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene is C=C/C=C(\C=C)c1cccc(C(=C)C)c1.
What is the InChIKey of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene?
The InChIKey is MWRUXLXIAKMHLI-MDWZMJQESA-N. The full InChI is InChI=1S/C15H16/c1-5-8-13(6-2)15-10-7-9-14(11-15)12(3)4/h5-11H,1-3H2,4H3/b13-8+.
What are the key properties of 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene?
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene has a molecular weight of 196.29 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 156839306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).