(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane

C13H20 — CID 142141594

IUPAC(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
SMILESC.C=CC(=C/C=C\C)/C(C=C)=C\C
InChIInChI=1S/C12H16.CH4/c1-5-9-10-12(8-4)11(6-2)7-3;/h5-10H,2,4H2,1,3H3;1H4/b9-5-,11-7-,12-10-;
InChIKeyVIUKKSFMVGBYKG-CJTXUHCASA-N
MW176.30 g/mol
LogP4.44
Rot. Bonds4

About (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane

(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane (PubChem CID 142141594) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane.

Molecular Properties

Compound Name(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
PubChem CID142141594
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
SMILESC.C=CC(=C/C=C\C)/C(C=C)=C\C
InChIInChI=1S/C12H16.CH4/c1-5-9-10-12(8-4)11(6-2)7-3;/h5-10H,2,4H2,1,3H3;1H4/b9-5-,11-7-,12-10-;
InChIKeyVIUKKSFMVGBYKG-CJTXUHCASA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.44
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

(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(3E,5Z)-3-ethenyl-1,1-difluorohepta-3,5-dien-2-one
CID 145079056
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(3Z,5Z)-hepta-1,3,5-triene;methane
CID 143380753
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3E,5E,6Z,8Z)-3,5-di(ethylidene)deca-1,6,8-trien-4-one
CID 135157772
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane?
The IUPAC name of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane (CID 142141594) is (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane.
What is the SMILES notation for (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane?
The canonical SMILES for (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane is C.C=CC(=C/C=C\C)/C(C=C)=C\C.
What is the InChIKey of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane?
The InChIKey is VIUKKSFMVGBYKG-CJTXUHCASA-N. The full InChI is InChI=1S/C12H16.CH4/c1-5-9-10-12(8-4)11(6-2)7-3;/h5-10H,2,4H2,1,3H3;1H4/b9-5-,11-7-,12-10-;.
What are the key properties of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane?
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane has a molecular weight of 176.30 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane is sourced from PubChem (CID 142141594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).