1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one

C9H16O2 — CID 73028038

IUPAC1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one
SMILESCCC(=O)CC1CC1(O)CC
InChIInChI=1S/C9H16O2/c1-3-8(10)5-7-6-9(7,11)4-2/h7,11H,3-6H2,1-2H3
InChIKeyJHLOCMPDCURRFJ-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds4

About 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one

1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one (PubChem CID 73028038) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one
PubChem CID73028038
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one
SMILESCCC(=O)CC1CC1(O)CC
InChIInChI=1S/C9H16O2/c1-3-8(10)5-7-6-9(7,11)4-2/h7,11H,3-6H2,1-2H3
InChIKeyJHLOCMPDCURRFJ-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one?
The IUPAC name of 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one (CID 73028038) is 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one.
What is the SMILES notation for 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one?
The canonical SMILES for 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one is CCC(=O)CC1CC1(O)CC.
What is the InChIKey of 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one?
The InChIKey is JHLOCMPDCURRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-8(10)5-7-6-9(7,11)4-2/h7,11H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one?
1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxycyclopropyl)butan-2-one is sourced from PubChem (CID 73028038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).