2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one

C11H20O — CID 67944984

IUPAC2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one
SMILESCCC1C(=O)CC(C(C)C)C1C
InChIInChI=1S/C11H20O/c1-5-9-8(4)10(7(2)3)6-11(9)12/h7-10H,5-6H2,1-4H3
InChIKeyBIAQGPFNCRWYSU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one

2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one (PubChem CID 67944984) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one
PubChem CID67944984
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one
SMILESCCC1C(=O)CC(C(C)C)C1C
InChIInChI=1S/C11H20O/c1-5-9-8(4)10(7(2)3)6-11(9)12/h7-10H,5-6H2,1-4H3
InChIKeyBIAQGPFNCRWYSU-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one?
The IUPAC name of 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one (CID 67944984) is 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one is CCC1C(=O)CC(C(C)C)C1C.
What is the InChIKey of 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one?
The InChIKey is BIAQGPFNCRWYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-9-8(4)10(7(2)3)6-11(9)12/h7-10H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one?
2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one has a molecular weight of 168.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 67944984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).