ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene

C12H20 — CID 163367523

IUPACethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
SMILESC=C.C=C/C(C(=C)C)=C(/C)CC
InChIInChI=1S/C10H16.C2H4/c1-6-9(5)10(7-2)8(3)4;1-2/h7H,2-3,6H2,1,4-5H3;1-2H2/b10-9+;
InChIKeyDUCBZAIYQDVARE-RRABGKBLSA-N
MW164.29 g/mol
LogP4.28
Rot. Bonds3

About ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene

ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene (PubChem CID 163367523) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene.

Molecular Properties

Compound Nameethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
PubChem CID163367523
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nameethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene
SMILESC=C.C=C/C(C(=C)C)=C(/C)CC
InChIInChI=1S/C10H16.C2H4/c1-6-9(5)10(7-2)8(3)4;1-2/h7H,2-3,6H2,1,4-5H3;1-2H2/b10-9+;
InChIKeyDUCBZAIYQDVARE-RRABGKBLSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.28
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'}

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Related Compounds

ethane;2-methylbuta-1,3-diene;(3Z)-2,3,4-trimethylhexa-1,3-diene
CID 145156103
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
3-ethenyl-2,5-dimethyl-4-prop-1-en-2-ylhexa-1,3,5-triene
CID 170590567
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
(3E)-3-ethyl-4-methylhexa-1,3-diene;methane;propane
CID 143938090
(3E)-3-(chloromethyl)-2,4-dimethylhexa-1,3-diene
CID 146332316
3-methylidenepent-1-ene
CID 18850
(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
2-methyl-2-(4-methylhexa-1,3-dien-3-yl)propanedioic acid
CID 90731067
(3E,5E)-3-ethenyl-5-(1-fluoroprop-2-enyl)-2,4-dimethylocta-1,3,5-triene
CID 130420883
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
but-1-ene;2-methylbut-1-ene
CID 90770104

Frequently Asked Questions

What is the IUPAC name of ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene?
The IUPAC name of ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene (CID 163367523) is ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene.
What is the SMILES notation for ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene?
The canonical SMILES for ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene is C=C.C=C/C(C(=C)C)=C(/C)CC.
What is the InChIKey of ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene?
The InChIKey is DUCBZAIYQDVARE-RRABGKBLSA-N. The full InChI is InChI=1S/C10H16.C2H4/c1-6-9(5)10(7-2)8(3)4;1-2/h7H,2-3,6H2,1,4-5H3;1-2H2/b10-9+;.
What are the key properties of ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene?
ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(3E)-3-ethenyl-2,4-dimethylhexa-1,3-diene is sourced from PubChem (CID 163367523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).