3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one

C9H16O2 — CID 130036833

IUPAC3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one
SMILESCCC1C(CO)CC(=O)C1C
InChIInChI=1S/C9H16O2/c1-3-8-6(2)9(11)4-7(8)5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyAMCOQZOUYOPFNQ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds2

About 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one

3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one (PubChem CID 130036833) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one
PubChem CID130036833
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one
SMILESCCC1C(CO)CC(=O)C1C
InChIInChI=1S/C9H16O2/c1-3-8-6(2)9(11)4-7(8)5-10/h6-8,10H,3-5H2,1-2H3
InChIKeyAMCOQZOUYOPFNQ-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one (CID 130036833) is 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one is CCC1C(CO)CC(=O)C1C.
What is the InChIKey of 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one?
The InChIKey is AMCOQZOUYOPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8-6(2)9(11)4-7(8)5-10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one?
3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(hydroxymethyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 130036833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).