1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene

C11H16 — CID 123396645

IUPAC1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1(C)C2(C)C=CC=CC12C
InChIInChI=1S/C11H16/c1-9(2)10(3)7-5-6-8-11(9,10)4/h5-8H,1-4H3
InChIKeyVHFZKMLUUXYRJB-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds

About 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene

1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 123396645) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID123396645
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1(C)C2(C)C=CC=CC12C
InChIInChI=1S/C11H16/c1-9(2)10(3)7-5-6-8-11(9,10)4/h5-8H,1-4H3
InChIKeyVHFZKMLUUXYRJB-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecamethylcycloheptane
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6,6,7-trimethyl-3-oxatricyclo[5.4.0.01,5]undeca-8,10-diene
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Frequently Asked Questions

What is the IUPAC name of 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene (CID 123396645) is 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene is CC1(C)C2(C)C=CC=CC12C.
What is the InChIKey of 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is VHFZKMLUUXYRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-9(2)10(3)7-5-6-8-11(9,10)4/h5-8H,1-4H3.
What are the key properties of 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene?
1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 148.25 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,7-tetramethylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 123396645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).