(5R)-5-hydroxyoct-1-en-3-one

C8H14O2 — CID 24949834

IUPAC(5R)-5-hydroxyoct-1-en-3-one
SMILESC=CC(=O)C[C@H](O)CCC
InChIInChI=1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h4,8,10H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyMGAQLNTUWMGKEK-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds5

About (5R)-5-hydroxyoct-1-en-3-one

(5R)-5-hydroxyoct-1-en-3-one (PubChem CID 24949834) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (5R)-5-hydroxyoct-1-en-3-one.

Molecular Properties

Compound Name(5R)-5-hydroxyoct-1-en-3-one
PubChem CID24949834
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(5R)-5-hydroxyoct-1-en-3-one
SMILESC=CC(=O)C[C@H](O)CCC
InChIInChI=1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h4,8,10H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyMGAQLNTUWMGKEK-MRVPVSSYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxyoct-1-en-3-one?
The IUPAC name of (5R)-5-hydroxyoct-1-en-3-one (CID 24949834) is (5R)-5-hydroxyoct-1-en-3-one.
What is the SMILES notation for (5R)-5-hydroxyoct-1-en-3-one?
The canonical SMILES for (5R)-5-hydroxyoct-1-en-3-one is C=CC(=O)C[C@H](O)CCC.
What is the InChIKey of (5R)-5-hydroxyoct-1-en-3-one?
The InChIKey is MGAQLNTUWMGKEK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-5-8(10)6-7(9)4-2/h4,8,10H,2-3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of (5R)-5-hydroxyoct-1-en-3-one?
(5R)-5-hydroxyoct-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxyoct-1-en-3-one is sourced from PubChem (CID 24949834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).