1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene

C12H18 — CID 24278

IUPAC1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
SMILESCC1=C(C)C2(C)C(C)=C(C)C12C
InChIInChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3
InChIKeyRVNQQZMIWZPGNA-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene

1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene (PubChem CID 24278) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
PubChem CID24278
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene
SMILESCC1=C(C)C2(C)C(C)=C(C)C12C
InChIInChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3
InChIKeyRVNQQZMIWZPGNA-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene?
The IUPAC name of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene (CID 24278) is 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene is CC1=C(C)C2(C)C(C)=C(C)C12C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene?
The InChIKey is RVNQQZMIWZPGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-7-8(2)12(6)10(4)9(3)11(7,12)5/h1-6H3.
What are the key properties of 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene?
1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbicyclo[2.2.0]hexa-2,5-diene is sourced from PubChem (CID 24278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).