3-ethenyl-2,3-dimethylpenta-1,4-diene

C9H14 — CID 123897882

IUPAC3-ethenyl-2,3-dimethylpenta-1,4-diene
SMILESC=CC(C)(C=C)C(=C)C
InChIInChI=1S/C9H14/c1-6-9(5,7-2)8(3)4/h6-7H,1-3H2,4-5H3
InChIKeyJUILHLJQYSLFLP-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.94
Rot. Bonds3

About 3-ethenyl-2,3-dimethylpenta-1,4-diene

3-ethenyl-2,3-dimethylpenta-1,4-diene (PubChem CID 123897882) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-ethenyl-2,3-dimethylpenta-1,4-diene.

Molecular Properties

Compound Name3-ethenyl-2,3-dimethylpenta-1,4-diene
PubChem CID123897882
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-ethenyl-2,3-dimethylpenta-1,4-diene
SMILESC=CC(C)(C=C)C(=C)C
InChIInChI=1S/C9H14/c1-6-9(5,7-2)8(3)4/h6-7H,1-3H2,4-5H3
InChIKeyJUILHLJQYSLFLP-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323
3-ethyl-2,3-dimethylpenta-1,4-diene
CID 123241142
2-ethenyl-2-methylbut-3-enoic acid
CID 54134435
3,3-dimethylbut-1-ene;2-methylprop-2-enoic acid
CID 175316854
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
CID 174877306
(3E)-2,5-dimethylhexa-3,5-dien-2-ol
CID 12625790
2,3-dimethylbut-3-en-2-ylazanide;bis(rutherfordium)
CID 159971843
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
2-methylprop-2-ene-1,1,1-triol
CID 14026294
buta-1,3-diene;bis(2-methylprop-1-ene)
CID 157325462
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,3-dimethylpenta-1,4-diene?
The IUPAC name of 3-ethenyl-2,3-dimethylpenta-1,4-diene (CID 123897882) is 3-ethenyl-2,3-dimethylpenta-1,4-diene.
What is the SMILES notation for 3-ethenyl-2,3-dimethylpenta-1,4-diene?
The canonical SMILES for 3-ethenyl-2,3-dimethylpenta-1,4-diene is C=CC(C)(C=C)C(=C)C.
What is the InChIKey of 3-ethenyl-2,3-dimethylpenta-1,4-diene?
The InChIKey is JUILHLJQYSLFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-9(5,7-2)8(3)4/h6-7H,1-3H2,4-5H3.
What are the key properties of 3-ethenyl-2,3-dimethylpenta-1,4-diene?
3-ethenyl-2,3-dimethylpenta-1,4-diene has a molecular weight of 122.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,3-dimethylpenta-1,4-diene is sourced from PubChem (CID 123897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).