3-ethenyl-2,5-dimethylhexa-1,4-diene

C10H16 — CID 519872

IUPAC3-ethenyl-2,5-dimethylhexa-1,4-diene
SMILESC=CC(C=C(C)C)C(=C)C
InChIInChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3
InChIKeyZQGDEJAPCUGBRH-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds3

About 3-ethenyl-2,5-dimethylhexa-1,4-diene

3-ethenyl-2,5-dimethylhexa-1,4-diene (PubChem CID 519872) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-ethenyl-2,5-dimethylhexa-1,4-diene.

Molecular Properties

Compound Name3-ethenyl-2,5-dimethylhexa-1,4-diene
PubChem CID519872
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-ethenyl-2,5-dimethylhexa-1,4-diene
SMILESC=CC(C=C(C)C)C(=C)C
InChIInChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3
InChIKeyZQGDEJAPCUGBRH-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
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

Myrcene
CID 31253
Gamma-Terpinene
CID 7461
Humulene
CID 5281520
beta-Farnesene
CID 5281517
Dihydromyrcene
CID 17090
Dihydromyrcene, (+)-
CID 10887985
Pentylene
CID 32932
1-Pentene 2-pentene
CID 19097016
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
2,3-Dimethyl-1,4-hexadiene
CID 5368910
Geraniolene
CID 81203
7-Methyl-1,6-octadiene
CID 557579

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,5-dimethylhexa-1,4-diene?
The IUPAC name of 3-ethenyl-2,5-dimethylhexa-1,4-diene (CID 519872) is 3-ethenyl-2,5-dimethylhexa-1,4-diene.
What is the SMILES notation for 3-ethenyl-2,5-dimethylhexa-1,4-diene?
The canonical SMILES for 3-ethenyl-2,5-dimethylhexa-1,4-diene is C=CC(C=C(C)C)C(=C)C.
What is the InChIKey of 3-ethenyl-2,5-dimethylhexa-1,4-diene?
The InChIKey is ZQGDEJAPCUGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-10(9(4)5)7-8(2)3/h6-7,10H,1,4H2,2-3,5H3.
What are the key properties of 3-ethenyl-2,5-dimethylhexa-1,4-diene?
3-ethenyl-2,5-dimethylhexa-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,5-dimethylhexa-1,4-diene is sourced from PubChem (CID 519872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).