4,4,6-trimethylbicyclo[3.2.0]heptan-2-one

C10H16O — CID 130037421

IUPAC4,4,6-trimethylbicyclo[3.2.0]heptan-2-one
SMILESCC1CC2C(=O)CC(C)(C)C12
InChIInChI=1S/C10H16O/c1-6-4-7-8(11)5-10(2,3)9(6)7/h6-7,9H,4-5H2,1-3H3
InChIKeyAORZNWOUIXVCEH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.26
Rot. Bonds

About 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one

4,4,6-trimethylbicyclo[3.2.0]heptan-2-one (PubChem CID 130037421) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one.

Molecular Properties

Compound Name4,4,6-trimethylbicyclo[3.2.0]heptan-2-one
PubChem CID130037421
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,4,6-trimethylbicyclo[3.2.0]heptan-2-one
SMILESCC1CC2C(=O)CC(C)(C)C12
InChIInChI=1S/C10H16O/c1-6-4-7-8(11)5-10(2,3)9(6)7/h6-7,9H,4-5H2,1-3H3
InChIKeyAORZNWOUIXVCEH-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one?
The IUPAC name of 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one (CID 130037421) is 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one.
What is the SMILES notation for 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one?
The canonical SMILES for 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one is CC1CC2C(=O)CC(C)(C)C12.
What is the InChIKey of 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one?
The InChIKey is AORZNWOUIXVCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-4-7-8(11)5-10(2,3)9(6)7/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one?
4,4,6-trimethylbicyclo[3.2.0]heptan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethylbicyclo[3.2.0]heptan-2-one is sourced from PubChem (CID 130037421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).