2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one

C11H20O — CID 143462146

IUPAC2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one
SMILESCCC1(C)C(=O)CC(C)C1(C)C
InChIInChI=1S/C11H20O/c1-6-11(5)9(12)7-8(2)10(11,3)4/h8H,6-7H2,1-5H3
InChIKeyMRWSRAOFMLWUMC-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.04
Rot. Bonds1

About 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one

2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one (PubChem CID 143462146) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one.

Molecular Properties

Compound Name2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one
PubChem CID143462146
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one
SMILESCCC1(C)C(=O)CC(C)C1(C)C
InChIInChI=1S/C11H20O/c1-6-11(5)9(12)7-8(2)10(11,3)4/h8H,6-7H2,1-5H3
InChIKeyMRWSRAOFMLWUMC-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one?
The IUPAC name of 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one (CID 143462146) is 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one.
What is the SMILES notation for 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one?
The canonical SMILES for 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one is CCC1(C)C(=O)CC(C)C1(C)C.
What is the InChIKey of 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one?
The InChIKey is MRWSRAOFMLWUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11(5)9(12)7-8(2)10(11,3)4/h8H,6-7H2,1-5H3.
What are the key properties of 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one?
2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3,4-tetramethylcyclopentan-1-one is sourced from PubChem (CID 143462146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).