5-ethyl-5-hydroxyoctan-4-one

C10H20O2 — CID 134978646

IUPAC5-ethyl-5-hydroxyoctan-4-one
SMILESCCCC(=O)C(O)(CC)CCC
InChIInChI=1S/C10H20O2/c1-4-7-9(11)10(12,6-3)8-5-2/h12H,4-8H2,1-3H3
InChIKeyHFANGFLAULVROU-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.30
Rot. Bonds6

About 5-ethyl-5-hydroxyoctan-4-one

5-ethyl-5-hydroxyoctan-4-one (PubChem CID 134978646) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-ethyl-5-hydroxyoctan-4-one.

Molecular Properties

Compound Name5-ethyl-5-hydroxyoctan-4-one
PubChem CID134978646
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-ethyl-5-hydroxyoctan-4-one
SMILESCCCC(=O)C(O)(CC)CCC
InChIInChI=1S/C10H20O2/c1-4-7-9(11)10(12,6-3)8-5-2/h12H,4-8H2,1-3H3
InChIKeyHFANGFLAULVROU-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-hydroxyoctan-4-one?
The IUPAC name of 5-ethyl-5-hydroxyoctan-4-one (CID 134978646) is 5-ethyl-5-hydroxyoctan-4-one.
What is the SMILES notation for 5-ethyl-5-hydroxyoctan-4-one?
The canonical SMILES for 5-ethyl-5-hydroxyoctan-4-one is CCCC(=O)C(O)(CC)CCC.
What is the InChIKey of 5-ethyl-5-hydroxyoctan-4-one?
The InChIKey is HFANGFLAULVROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-9(11)10(12,6-3)8-5-2/h12H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-5-hydroxyoctan-4-one?
5-ethyl-5-hydroxyoctan-4-one has a molecular weight of 172.27 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-hydroxyoctan-4-one is sourced from PubChem (CID 134978646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).