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

C10H14 — CID 576908

IUPAC3-ethenyl-1,2-dimethylcyclohexa-1,4-diene
SMILESC=CC1C=CCC(C)=C1C
InChIInChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h4-5,7,10H,1,6H2,2-3H3
InChIKeyXTEXHRDVSFQWLP-UHFFFAOYSA-N
MW134.22 g/mol
LogP3.08
Rot. Bonds1

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

3-ethenyl-1,2-dimethylcyclohexa-1,4-diene (PubChem CID 576908) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3-ethenyl-1,2-dimethylcyclohexa-1,4-diene
PubChem CID576908
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-ethenyl-1,2-dimethylcyclohexa-1,4-diene
SMILESC=CC1C=CCC(C)=C1C
InChIInChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h4-5,7,10H,1,6H2,2-3H3
InChIKeyXTEXHRDVSFQWLP-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 53.08
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

Gamma-Terpinene
CID 7461
Dihydromyrcene
CID 17090
Dihydromyrcene, (+)-
CID 10887985
1,4-Hexadiene, 4-methyl-, cis-
CID 5367525
2,3-Dimethyl-1,4-hexadiene
CID 5368910
Dihydromyrcene, (-)-
CID 10997105
2-Methyl-3-heptene, (3E)-
CID 5357255
trans-3,4-Dimethyl-2-pentene
CID 638068
2-Hexene, 2,5-dimethyl-
CID 18853
1-Methyl-1,4-cyclohexadiene
CID 78006
p-Mentha-2,4-diene
CID 6428962
2-Isopropyl-1,4-hexadiene
CID 6429324

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene?
The IUPAC name of 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene (CID 576908) is 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene.
What is the SMILES notation for 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene?
The canonical SMILES for 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene is C=CC1C=CCC(C)=C1C.
What is the InChIKey of 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene?
The InChIKey is XTEXHRDVSFQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-4-10-7-5-6-8(2)9(10)3/h4-5,7,10H,1,6H2,2-3H3.
What are the key properties of 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene?
3-ethenyl-1,2-dimethylcyclohexa-1,4-diene has a molecular weight of 134.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,2-dimethylcyclohexa-1,4-diene is sourced from PubChem (CID 576908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).