3-(hydroxymethyl)-2-propylcyclopentan-1-one

C9H16O2 — CID 152865971

IUPAC3-(hydroxymethyl)-2-propylcyclopentan-1-one
SMILESCCCC1C(=O)CCC1CO
InChIInChI=1S/C9H16O2/c1-2-3-8-7(6-10)4-5-9(8)11/h7-8,10H,2-6H2,1H3
InChIKeyTYLVLYYDXLQLSS-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds3

About 3-(hydroxymethyl)-2-propylcyclopentan-1-one

3-(hydroxymethyl)-2-propylcyclopentan-1-one (PubChem CID 152865971) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-propylcyclopentan-1-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-propylcyclopentan-1-one
PubChem CID152865971
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-(hydroxymethyl)-2-propylcyclopentan-1-one
SMILESCCCC1C(=O)CCC1CO
InChIInChI=1S/C9H16O2/c1-2-3-8-7(6-10)4-5-9(8)11/h7-8,10H,2-6H2,1H3
InChIKeyTYLVLYYDXLQLSS-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-propylcyclopentan-1-one?
The IUPAC name of 3-(hydroxymethyl)-2-propylcyclopentan-1-one (CID 152865971) is 3-(hydroxymethyl)-2-propylcyclopentan-1-one.
What is the SMILES notation for 3-(hydroxymethyl)-2-propylcyclopentan-1-one?
The canonical SMILES for 3-(hydroxymethyl)-2-propylcyclopentan-1-one is CCCC1C(=O)CCC1CO.
What is the InChIKey of 3-(hydroxymethyl)-2-propylcyclopentan-1-one?
The InChIKey is TYLVLYYDXLQLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-8-7(6-10)4-5-9(8)11/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-(hydroxymethyl)-2-propylcyclopentan-1-one?
3-(hydroxymethyl)-2-propylcyclopentan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-propylcyclopentan-1-one is sourced from PubChem (CID 152865971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).