1,2,4,5-tetramethylcyclohexa-1,4-diene

C10H16 — CID 5052860

IUPAC1,2,4,5-tetramethylcyclohexa-1,4-diene
SMILESCC1=C(C)CC(C)=C(C)C1
InChIInChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h5-6H2,1-4H3
InChIKeyGACALPFXAWHEBC-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds

About 1,2,4,5-tetramethylcyclohexa-1,4-diene

1,2,4,5-tetramethylcyclohexa-1,4-diene (PubChem CID 5052860) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,2,4,5-tetramethylcyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,4,5-tetramethylcyclohexa-1,4-diene
PubChem CID5052860
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,2,4,5-tetramethylcyclohexa-1,4-diene
SMILESCC1=C(C)CC(C)=C(C)C1
InChIInChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h5-6H2,1-4H3
InChIKeyGACALPFXAWHEBC-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
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

2,3-Dimethyl-2-hexene
CID 23528
Cyclohexene, 1-ethyl-2-methyl-
CID 88242
(E)-3,4-Dimethylhex-3-ene
CID 3034312
3,4-Diethyl-3-hexene
CID 136668
2-Heptene, 2,3-dimethyl-
CID 137816
Cyclohexane, (1-methylethylidene)-
CID 138578
3-Ethyl-2-methyl-2-pentene
CID 140592
2-Octene, 2,3-dimethyl-
CID 140599
(Z)-3,4-dimethylhex-3-ene
CID 3034311
3-Hexene, 3-ethyl-4-methyl-
CID 142781
Cyclohexane, 1-methylene-4-(1-methylethylidene)-
CID 522319
2,3,6,7-Tetramethylocta-2,6-diene
CID 13378707

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethylcyclohexa-1,4-diene?
The IUPAC name of 1,2,4,5-tetramethylcyclohexa-1,4-diene (CID 5052860) is 1,2,4,5-tetramethylcyclohexa-1,4-diene.
What is the SMILES notation for 1,2,4,5-tetramethylcyclohexa-1,4-diene?
The canonical SMILES for 1,2,4,5-tetramethylcyclohexa-1,4-diene is CC1=C(C)CC(C)=C(C)C1.
What is the InChIKey of 1,2,4,5-tetramethylcyclohexa-1,4-diene?
The InChIKey is GACALPFXAWHEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-5-9(3)10(4)6-8(7)2/h5-6H2,1-4H3.
What are the key properties of 1,2,4,5-tetramethylcyclohexa-1,4-diene?
1,2,4,5-tetramethylcyclohexa-1,4-diene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethylcyclohexa-1,4-diene is sourced from PubChem (CID 5052860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).