ethane;methane;(3Z,6Z)-octa-1,3,6-triene

C11H22 — CID 144530940

IUPACethane;methane;(3Z,6Z)-octa-1,3,6-triene
SMILESC.C=C/C=C\C/C=C\C.CC
InChIInChI=1S/C8H12.C2H6.CH4/c1-3-5-7-8-6-4-2;1-2;/h3-7H,1,8H2,2H3;1-2H3;1H4/b6-4-,7-5-;;
InChIKeyULPZJYBQKXERQQ-RVMHNBBFSA-N
MW154.30 g/mol
LogP4.36
Rot. Bonds3

About ethane;methane;(3Z,6Z)-octa-1,3,6-triene

ethane;methane;(3Z,6Z)-octa-1,3,6-triene (PubChem CID 144530940) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;methane;(3Z,6Z)-octa-1,3,6-triene.

Molecular Properties

Compound Nameethane;methane;(3Z,6Z)-octa-1,3,6-triene
PubChem CID144530940
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;methane;(3Z,6Z)-octa-1,3,6-triene
SMILESC.C=C/C=C\C/C=C\C.CC
InChIInChI=1S/C8H12.C2H6.CH4/c1-3-5-7-8-6-4-2;1-2;/h3-7H,1,8H2,2H3;1-2H3;1H4/b6-4-,7-5-;;
InChIKeyULPZJYBQKXERQQ-RVMHNBBFSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;methane;(3Z,6Z)-octa-1,3,6-triene 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

trans-Alloocimene
CID 5368821
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
1,3,5-Undecatriene, (3E,5Z)-
CID 5352367
1,3-Octadiene
CID 517653
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3Z,6Z)-octa-1,3,6-triene?
The IUPAC name of ethane;methane;(3Z,6Z)-octa-1,3,6-triene (CID 144530940) is ethane;methane;(3Z,6Z)-octa-1,3,6-triene.
What is the SMILES notation for ethane;methane;(3Z,6Z)-octa-1,3,6-triene?
The canonical SMILES for ethane;methane;(3Z,6Z)-octa-1,3,6-triene is C.C=C/C=C\C/C=C\C.CC.
What is the InChIKey of ethane;methane;(3Z,6Z)-octa-1,3,6-triene?
The InChIKey is ULPZJYBQKXERQQ-RVMHNBBFSA-N. The full InChI is InChI=1S/C8H12.C2H6.CH4/c1-3-5-7-8-6-4-2;1-2;/h3-7H,1,8H2,2H3;1-2H3;1H4/b6-4-,7-5-;;.
What are the key properties of ethane;methane;(3Z,6Z)-octa-1,3,6-triene?
ethane;methane;(3Z,6Z)-octa-1,3,6-triene has a molecular weight of 154.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3Z,6Z)-octa-1,3,6-triene is sourced from PubChem (CID 144530940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).