1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene

C12H20 — CID 20678433

IUPAC1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(C)=C(C)C(C)(C)C1
InChIInChI=1S/C12H20/c1-8-7-12(5,6)11(4)10(3)9(8)2/h7H2,1-6H3
InChIKeyGCXJYUMPAFHPIE-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds

About 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene

1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene (PubChem CID 20678433) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene
PubChem CID20678433
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(C)=C(C)C(C)(C)C1
InChIInChI=1S/C12H20/c1-8-7-12(5,6)11(4)10(3)9(8)2/h7H2,1-6H3
InChIKeyGCXJYUMPAFHPIE-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene?
The IUPAC name of 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene (CID 20678433) is 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene is CC1=C(C)C(C)=C(C)C(C)(C)C1.
What is the InChIKey of 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene?
The InChIKey is GCXJYUMPAFHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-7-12(5,6)11(4)10(3)9(8)2/h7H2,1-6H3.
What are the key properties of 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene?
1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5-hexamethylcyclohexa-1,3-diene is sourced from PubChem (CID 20678433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).