4-ethenyl-3-ethylocta-3,5-diene

C12H20 — CID 91004805

IUPAC4-ethenyl-3-ethylocta-3,5-diene
SMILESC=CC(C=CCC)=C(CC)CC
InChIInChI=1S/C12H20/c1-5-9-10-12(8-4)11(6-2)7-3/h8-10H,4-7H2,1-3H3
InChIKeyPGAGPIIULAMYOQ-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.26
Rot. Bonds5

About 4-ethenyl-3-ethylocta-3,5-diene

4-ethenyl-3-ethylocta-3,5-diene (PubChem CID 91004805) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethenyl-3-ethylocta-3,5-diene.

Molecular Properties

Compound Name4-ethenyl-3-ethylocta-3,5-diene
PubChem CID91004805
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethenyl-3-ethylocta-3,5-diene
SMILESC=CC(C=CCC)=C(CC)CC
InChIInChI=1S/C12H20/c1-5-9-10-12(8-4)11(6-2)7-3/h8-10H,4-7H2,1-3H3
InChIKeyPGAGPIIULAMYOQ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.26
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

N-[(5Z)-3-ethenylocta-1,3,5-trien-4-yl]methanimine
CID 153398370
(3Z,5Z)-3,4-dichloroocta-1,3,5-triene
CID 88957230
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane
CID 144696306
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid
CID 142315455
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid;ethane
CID 142315454

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-3-ethylocta-3,5-diene?
The IUPAC name of 4-ethenyl-3-ethylocta-3,5-diene (CID 91004805) is 4-ethenyl-3-ethylocta-3,5-diene.
What is the SMILES notation for 4-ethenyl-3-ethylocta-3,5-diene?
The canonical SMILES for 4-ethenyl-3-ethylocta-3,5-diene is C=CC(C=CCC)=C(CC)CC.
What is the InChIKey of 4-ethenyl-3-ethylocta-3,5-diene?
The InChIKey is PGAGPIIULAMYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-9-10-12(8-4)11(6-2)7-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-ethenyl-3-ethylocta-3,5-diene?
4-ethenyl-3-ethylocta-3,5-diene has a molecular weight of 164.29 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-ethylocta-3,5-diene is sourced from PubChem (CID 91004805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).