4-ethenyl-5-ethylideneocta-1,3,6-triene

C12H16 — CID 123583886

IUPAC4-ethenyl-5-ethylideneocta-1,3,6-triene
SMILESC=CC=C(C=C)C(C=CC)=CC
InChIInChI=1S/C12H16/c1-5-9-11(7-3)12(8-4)10-6-2/h5-10H,1,3H2,2,4H3
InChIKeyACXJXSKHPFGRMD-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.81
Rot. Bonds4

About 4-ethenyl-5-ethylideneocta-1,3,6-triene

4-ethenyl-5-ethylideneocta-1,3,6-triene (PubChem CID 123583886) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-ethenyl-5-ethylideneocta-1,3,6-triene.

Molecular Properties

Compound Name4-ethenyl-5-ethylideneocta-1,3,6-triene
PubChem CID123583886
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4-ethenyl-5-ethylideneocta-1,3,6-triene
SMILESC=CC=C(C=C)C(C=CC)=CC
InChIInChI=1S/C12H16/c1-5-9-11(7-3)12(8-4)10-6-2/h5-10H,1,3H2,2,4H3
InChIKeyACXJXSKHPFGRMD-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.81
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

ethane;(3E,6E)-4-ethenyl-6-[(Z)-prop-1-enyl]nona-1,3,6,8-tetraen-5-one
CID 142285678
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
ethane;(3E,6E)-6-ethenyl-9-methyl-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 144664030
(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
[(3E)-3-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-phenylhexa-1,3,5-trienyl]benzene
CID 142373254
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-ethylideneocta-1,3,6-triene?
The IUPAC name of 4-ethenyl-5-ethylideneocta-1,3,6-triene (CID 123583886) is 4-ethenyl-5-ethylideneocta-1,3,6-triene.
What is the SMILES notation for 4-ethenyl-5-ethylideneocta-1,3,6-triene?
The canonical SMILES for 4-ethenyl-5-ethylideneocta-1,3,6-triene is C=CC=C(C=C)C(C=CC)=CC.
What is the InChIKey of 4-ethenyl-5-ethylideneocta-1,3,6-triene?
The InChIKey is ACXJXSKHPFGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-5-9-11(7-3)12(8-4)10-6-2/h5-10H,1,3H2,2,4H3.
What are the key properties of 4-ethenyl-5-ethylideneocta-1,3,6-triene?
4-ethenyl-5-ethylideneocta-1,3,6-triene has a molecular weight of 160.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-ethylideneocta-1,3,6-triene is sourced from PubChem (CID 123583886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).