(E,5R,8R)-5,8-dihydroxynon-3-en-2-one

C9H16O3 — CID 10866796

IUPAC(E,5R,8R)-5,8-dihydroxynon-3-en-2-one
SMILESCC(=O)/C=C/[C@H](O)CC[C@@H](C)O
InChIInChI=1S/C9H16O3/c1-7(10)3-5-9(12)6-4-8(2)11/h3,5,8-9,11-12H,4,6H2,1-2H3/b5-3+/t8-,9+/m1/s1
InChIKeyAGDPKGYELUBUND-ZHBVTVBMSA-N
MW172.22 g/mol
LogP0.65
Rot. Bonds5

About (E,5R,8R)-5,8-dihydroxynon-3-en-2-one

(E,5R,8R)-5,8-dihydroxynon-3-en-2-one (PubChem CID 10866796) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (E,5R,8R)-5,8-dihydroxynon-3-en-2-one.

Molecular Properties

Compound Name(E,5R,8R)-5,8-dihydroxynon-3-en-2-one
PubChem CID10866796
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(E,5R,8R)-5,8-dihydroxynon-3-en-2-one
SMILESCC(=O)/C=C/[C@H](O)CC[C@@H](C)O
InChIInChI=1S/C9H16O3/c1-7(10)3-5-9(12)6-4-8(2)11/h3,5,8-9,11-12H,4,6H2,1-2H3/b5-3+/t8-,9+/m1/s1
InChIKeyAGDPKGYELUBUND-ZHBVTVBMSA-N
XLogP0.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E,5R,8R)-5,8-dihydroxynon-3-en-2-one?
The IUPAC name of (E,5R,8R)-5,8-dihydroxynon-3-en-2-one (CID 10866796) is (E,5R,8R)-5,8-dihydroxynon-3-en-2-one.
What is the SMILES notation for (E,5R,8R)-5,8-dihydroxynon-3-en-2-one?
The canonical SMILES for (E,5R,8R)-5,8-dihydroxynon-3-en-2-one is CC(=O)/C=C/[C@H](O)CC[C@@H](C)O.
What is the InChIKey of (E,5R,8R)-5,8-dihydroxynon-3-en-2-one?
The InChIKey is AGDPKGYELUBUND-ZHBVTVBMSA-N. The full InChI is InChI=1S/C9H16O3/c1-7(10)3-5-9(12)6-4-8(2)11/h3,5,8-9,11-12H,4,6H2,1-2H3/b5-3+/t8-,9+/m1/s1.
What are the key properties of (E,5R,8R)-5,8-dihydroxynon-3-en-2-one?
(E,5R,8R)-5,8-dihydroxynon-3-en-2-one has a molecular weight of 172.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,8R)-5,8-dihydroxynon-3-en-2-one is sourced from PubChem (CID 10866796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).