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

C9H16O2 — CID 75089010

IUPAC4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1C(=O)CC(O)C1C
InChIInChI=1S/C9H16O2/c1-5(2)9-6(3)7(10)4-8(9)11/h5-7,9-10H,4H2,1-3H3
InChIKeyOGYOLRHIHSMJRY-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds1

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

4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one (PubChem CID 75089010) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
PubChem CID75089010
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1C(=O)CC(O)C1C
InChIInChI=1S/C9H16O2/c1-5(2)9-6(3)7(10)4-8(9)11/h5-7,9-10H,4H2,1-3H3
InChIKeyOGYOLRHIHSMJRY-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one?
The IUPAC name of 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one (CID 75089010) is 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one is CC(C)C1C(=O)CC(O)C1C.
What is the InChIKey of 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one?
The InChIKey is OGYOLRHIHSMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5(2)9-6(3)7(10)4-8(9)11/h5-7,9-10H,4H2,1-3H3.
What are the key properties of 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one?
4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 75089010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).