3-ethyldeca-4,6-diene

C12H22 — CID 91239582

IUPAC3-ethyldeca-4,6-diene
SMILESCCCC=CC=CC(CC)CC
InChIInChI=1S/C12H22/c1-4-7-8-9-10-11-12(5-2)6-3/h8-12H,4-7H2,1-3H3
InChIKeyPRMOOZZHJJKZIZ-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.34
Rot. Bonds6

About 3-ethyldeca-4,6-diene

3-ethyldeca-4,6-diene (PubChem CID 91239582) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 3-ethyldeca-4,6-diene.

Molecular Properties

Compound Name3-ethyldeca-4,6-diene
PubChem CID91239582
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name3-ethyldeca-4,6-diene
SMILESCCCC=CC=CC(CC)CC
InChIInChI=1S/C12H22/c1-4-7-8-9-10-11-12(5-2)6-3/h8-12H,4-7H2,1-3H3
InChIKeyPRMOOZZHJJKZIZ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.34
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

(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(4Z,6E)-8-hydroperoxyundeca-4,6-diene
CID 11286867
(E)-6-ethylundec-4-ene
CID 140796673
octa-2,4-dien-1-amine
CID 3847298
(6E)-octadeca-4,6-diene
CID 173243345
(4E)-octa-2,4-dienal
CID 175603405
(E)-3-bromooct-4-ene
CID 88754866
(2Z,4Z,6E)-deca-2,4,6-triene;ethane;methane
CID 178167851
(Z)-3-fluorooct-4-ene
CID 143337170
CID 123448767
CID 123448767
(E)-hex-2-enal
CID 158800846
(3Z)-hepta-1,3-diene
CID 6427773

Frequently Asked Questions

What is the IUPAC name of 3-ethyldeca-4,6-diene?
The IUPAC name of 3-ethyldeca-4,6-diene (CID 91239582) is 3-ethyldeca-4,6-diene.
What is the SMILES notation for 3-ethyldeca-4,6-diene?
The canonical SMILES for 3-ethyldeca-4,6-diene is CCCC=CC=CC(CC)CC.
What is the InChIKey of 3-ethyldeca-4,6-diene?
The InChIKey is PRMOOZZHJJKZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-7-8-9-10-11-12(5-2)6-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 3-ethyldeca-4,6-diene?
3-ethyldeca-4,6-diene has a molecular weight of 166.31 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldeca-4,6-diene is sourced from PubChem (CID 91239582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).