5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene

C12H20 — CID 123733561

IUPAC5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene
SMILESCC(C)C1C=CC=CC(C)C1C
InChIInChI=1S/C12H20/c1-9(2)12-8-6-5-7-10(3)11(12)4/h5-12H,1-4H3
InChIKeyMEDAVJKVVGRHLS-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.66
Rot. Bonds1

About 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene

5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene (PubChem CID 123733561) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene.

Molecular Properties

Compound Name5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene
PubChem CID123733561
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene
SMILESCC(C)C1C=CC=CC(C)C1C
InChIInChI=1S/C12H20/c1-9(2)12-8-6-5-7-10(3)11(12)4/h5-12H,1-4H3
InChIKeyMEDAVJKVVGRHLS-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene?
The IUPAC name of 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene (CID 123733561) is 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene.
What is the SMILES notation for 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene?
The canonical SMILES for 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene is CC(C)C1C=CC=CC(C)C1C.
What is the InChIKey of 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene?
The InChIKey is MEDAVJKVVGRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9(2)12-8-6-5-7-10(3)11(12)4/h5-12H,1-4H3.
What are the key properties of 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene?
5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene has a molecular weight of 164.29 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-propan-2-ylcyclohepta-1,3-diene is sourced from PubChem (CID 123733561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).