(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane

C12H22 — CID 143078832

IUPAC(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
SMILESC/C=C\C(C)=C(C)/C=C/C.CC
InChIInChI=1S/C10H16.C2H6/c1-5-7-9(3)10(4)8-6-2;1-2/h5-8H,1-4H3;1-2H3/b7-5-,8-6+,10-9-;
InChIKeyXNWCLUPMWGRCPK-MOBNFEKQSA-N
MW166.31 g/mol
LogP4.50
Rot. Bonds2

About (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane

(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane (PubChem CID 143078832) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane.

Molecular Properties

Compound Name(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
PubChem CID143078832
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
SMILESC/C=C\C(C)=C(C)/C=C/C.CC
InChIInChI=1S/C10H16.C2H6/c1-5-7-9(3)10(4)8-6-2;1-2/h5-8H,1-4H3;1-2H3/b7-5-,8-6+,10-9-;
InChIKeyXNWCLUPMWGRCPK-MOBNFEKQSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane 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

(2Z,4E,6Z,9Z)-4,5-dimethylundeca-2,4,6,9-tetraene
CID 142044240
(3E)-2,3,4-trimethylhepta-1,3,5-triene
CID 161260818
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(3E,5E)-2,4-dimethylhepta-3,5-dien-3-ol
CID 143682411
ethane;(3Z,5Z)-3-ethyl-4-methylhepta-1,3,5-triene
CID 142883433
ethane;methane;(E)-pent-3-en-2-one
CID 157296022
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(2Z,4Z)-6-fluoro-4,5-dimethylhepta-2,4-diene
CID 164597534
ethane;(2Z,4Z,6Z)-1-fluoro-5-methylocta-2,4,6-trien-4-ol
CID 143613129

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane?
The IUPAC name of (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane (CID 143078832) is (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane.
What is the SMILES notation for (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane?
The canonical SMILES for (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane is C/C=C\C(C)=C(C)/C=C/C.CC.
What is the InChIKey of (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane?
The InChIKey is XNWCLUPMWGRCPK-MOBNFEKQSA-N. The full InChI is InChI=1S/C10H16.C2H6/c1-5-7-9(3)10(4)8-6-2;1-2/h5-8H,1-4H3;1-2H3/b7-5-,8-6+,10-9-;.
What are the key properties of (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane?
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane has a molecular weight of 166.31 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane is sourced from PubChem (CID 143078832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).