1-(3,3-dimethylcyclopentyl)butan-1-one

C11H20O — CID 83047975

IUPAC1-(3,3-dimethylcyclopentyl)butan-1-one
SMILESCCCC(=O)C1CCC(C)(C)C1
InChIInChI=1S/C11H20O/c1-4-5-10(12)9-6-7-11(2,3)8-9/h9H,4-8H2,1-3H3
InChIKeyVAASLMWQAZOEEW-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds3

About 1-(3,3-dimethylcyclopentyl)butan-1-one

1-(3,3-dimethylcyclopentyl)butan-1-one (PubChem CID 83047975) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)butan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)butan-1-one
PubChem CID83047975
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(3,3-dimethylcyclopentyl)butan-1-one
SMILESCCCC(=O)C1CCC(C)(C)C1
InChIInChI=1S/C11H20O/c1-4-5-10(12)9-6-7-11(2,3)8-9/h9H,4-8H2,1-3H3
InChIKeyVAASLMWQAZOEEW-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)butan-1-one?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)butan-1-one (CID 83047975) is 1-(3,3-dimethylcyclopentyl)butan-1-one.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)butan-1-one?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)butan-1-one is CCCC(=O)C1CCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)butan-1-one?
The InChIKey is VAASLMWQAZOEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-10(12)9-6-7-11(2,3)8-9/h9H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylcyclopentyl)butan-1-one?
1-(3,3-dimethylcyclopentyl)butan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)butan-1-one is sourced from PubChem (CID 83047975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).