3-ethylidene-2,6-dimethylocta-1,4-diene

C12H20 — CID 90690181

IUPAC3-ethylidene-2,6-dimethylocta-1,4-diene
SMILESC=C(C)C(C=CC(C)CC)=CC
InChIInChI=1S/C12H20/c1-6-11(5)8-9-12(7-2)10(3)4/h7-9,11H,3,6H2,1-2,4-5H3
InChIKeySSZVNPVRFWVJRD-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.11
Rot. Bonds4

About 3-ethylidene-2,6-dimethylocta-1,4-diene

3-ethylidene-2,6-dimethylocta-1,4-diene (PubChem CID 90690181) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 3-ethylidene-2,6-dimethylocta-1,4-diene.

Molecular Properties

Compound Name3-ethylidene-2,6-dimethylocta-1,4-diene
PubChem CID90690181
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name3-ethylidene-2,6-dimethylocta-1,4-diene
SMILESC=C(C)C(C=CC(C)CC)=CC
InChIInChI=1S/C12H20/c1-6-11(5)8-9-12(7-2)10(3)4/h7-9,11H,3,6H2,1-2,4-5H3
InChIKeySSZVNPVRFWVJRD-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.11
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)-2-chloro-5-methylhepta-1,3-diene
CID 87430188
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
3,6-dimethyloct-4-ene
CID 73165576
3,6-dimethylocta-2,4-dienal
CID 54187516
4-ethenyl-3,8-dimethyldeca-2,4,6-triene
CID 123413794
(4Z)-4-ethyl-N-[(Z)-3-methylpent-1-enyl]hexa-1,4-dien-2-amine
CID 167028667
2,6-dimethylocta-1,3,4-triene
CID 123341951
(Z,3Z)-3-ethylidene-N,6-dimethyloct-4-en-1-amine
CID 143115320
1-[(2E,4Z)-3,6-dimethylocta-2,4-dien-2-yl]pyrrolidine
CID 166820090
(3E)-2,5-dimethylnona-1,3-diene
CID 14899752
(3E,5Z,7E)-2,3-dimethyl-7-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 163402512
3,7,10-trimethyldodeca-2,4,6,8-tetraenal
CID 71405843

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-2,6-dimethylocta-1,4-diene?
The IUPAC name of 3-ethylidene-2,6-dimethylocta-1,4-diene (CID 90690181) is 3-ethylidene-2,6-dimethylocta-1,4-diene.
What is the SMILES notation for 3-ethylidene-2,6-dimethylocta-1,4-diene?
The canonical SMILES for 3-ethylidene-2,6-dimethylocta-1,4-diene is C=C(C)C(C=CC(C)CC)=CC.
What is the InChIKey of 3-ethylidene-2,6-dimethylocta-1,4-diene?
The InChIKey is SSZVNPVRFWVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-11(5)8-9-12(7-2)10(3)4/h7-9,11H,3,6H2,1-2,4-5H3.
What are the key properties of 3-ethylidene-2,6-dimethylocta-1,4-diene?
3-ethylidene-2,6-dimethylocta-1,4-diene has a molecular weight of 164.29 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-2,6-dimethylocta-1,4-diene is sourced from PubChem (CID 90690181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).