ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene

C16H28 — CID 145061785

IUPACethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
SMILESC=C.C=C/C(C(=C)C)=C(C)/C=C\CC.CC
InChIInChI=1S/C12H18.C2H6.C2H4/c1-6-8-9-11(5)12(7-2)10(3)4;2*1-2/h7-9H,2-3,6H2,1,4-5H3;1-2H3;1-2H2/b9-8-,12-11-;;
InChIKeyCCSSENAHJDCTML-LTTUFRARSA-N
MW220.40 g/mol
LogP5.86
Rot. Bonds4

About ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene

ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene (PubChem CID 145061785) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Nameethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
PubChem CID145061785
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
SMILESC=C.C=C/C(C(=C)C)=C(C)/C=C\CC.CC
InChIInChI=1S/C12H18.C2H6.C2H4/c1-6-8-9-11(5)12(7-2)10(3)4;2*1-2/h7-9H,2-3,6H2,1,4-5H3;1-2H3;1-2H2/b9-8-,12-11-;;
InChIKeyCCSSENAHJDCTML-LTTUFRARSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.86
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;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-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

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
CID 163367523
(3E,5Z)-3-methylocta-1,3,5-trien-4-amine
CID 88993026
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid;ethane
CID 142315454
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
(Z)-2-[(Z)-but-1-enyl]-3-ethenylbut-2-enedioic acid
CID 142315455
3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
CID 170590567
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
acetylene;ethane;(2Z,6Z)-5-methylidenenona-2,6-diene
CID 143840325

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene?
The IUPAC name of ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene (CID 145061785) is ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene.
What is the SMILES notation for ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene?
The canonical SMILES for ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene is C=C.C=C/C(C(=C)C)=C(C)/C=C\CC.CC.
What is the InChIKey of ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene?
The InChIKey is CCSSENAHJDCTML-LTTUFRARSA-N. The full InChI is InChI=1S/C12H18.C2H6.C2H4/c1-6-8-9-11(5)12(7-2)10(3)4;2*1-2/h7-9H,2-3,6H2,1,4-5H3;1-2H3;1-2H2/b9-8-,12-11-;;.
What are the key properties of ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene?
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene has a molecular weight of 220.40 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene is sourced from PubChem (CID 145061785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).