5-ethenyl-3-ethylocta-1,7-diene

C12H20 — CID 150052452

IUPAC5-ethenyl-3-ethylocta-1,7-diene
SMILESC=CCC(C=C)CC(C=C)CC
InChIInChI=1S/C12H20/c1-5-9-12(8-4)10-11(6-2)7-3/h5-6,8,11-12H,1-2,4,7,9-10H2,3H3
InChIKeyDLPJHMBPADZZEX-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds7

About 5-ethenyl-3-ethylocta-1,7-diene

5-ethenyl-3-ethylocta-1,7-diene (PubChem CID 150052452) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5-ethenyl-3-ethylocta-1,7-diene.

Molecular Properties

Compound Name5-ethenyl-3-ethylocta-1,7-diene
PubChem CID150052452
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5-ethenyl-3-ethylocta-1,7-diene
SMILESC=CCC(C=C)CC(C=C)CC
InChIInChI=1S/C12H20/c1-5-9-12(8-4)10-11(6-2)7-3/h5-6,8,11-12H,1-2,4,7,9-10H2,3H3
InChIKeyDLPJHMBPADZZEX-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethenyl-3-ethylocta-1,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethenylhex-5-ene-1,1-diol
CID 144851586
2-ethyl-N-methylpent-4-en-1-imine
CID 123486283
ethene;4-ethylhex-1-ene
CID 159399050
4-ethyl-7-methylnona-1,5-diene
CID 123181426
3,5-diethyloct-1-ene;ethane
CID 177204594
(3S,5R)-3-ethyl-5-methyl-6-methylideneoct-1-ene
CID 143261301
sodium;hydride;4-methylhex-1-ene
CID 173048656
4-ethyldeca-1,5-diene
CID 175490783
2-ethylpent-4-enylidene-bis(2-methylpropyl)azanium bromide
CID 86714716
3-(methoxymethyl)pent-1-ene
CID 54004268
3-ethylhept-1-ene
CID 12923943
(3R)-3-ethylpent-4-en-1-amine
CID 122576147

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-ethylocta-1,7-diene?
The IUPAC name of 5-ethenyl-3-ethylocta-1,7-diene (CID 150052452) is 5-ethenyl-3-ethylocta-1,7-diene.
What is the SMILES notation for 5-ethenyl-3-ethylocta-1,7-diene?
The canonical SMILES for 5-ethenyl-3-ethylocta-1,7-diene is C=CCC(C=C)CC(C=C)CC.
What is the InChIKey of 5-ethenyl-3-ethylocta-1,7-diene?
The InChIKey is DLPJHMBPADZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-9-12(8-4)10-11(6-2)7-3/h5-6,8,11-12H,1-2,4,7,9-10H2,3H3.
What are the key properties of 5-ethenyl-3-ethylocta-1,7-diene?
5-ethenyl-3-ethylocta-1,7-diene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-ethylocta-1,7-diene is sourced from PubChem (CID 150052452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).