(6S,7R)-6,7-dihydroxynon-8-en-2-one

C9H16O3 — CID 59003863

IUPAC(6S,7R)-6,7-dihydroxynon-8-en-2-one
SMILESC=C[C@@H](O)[C@@H](O)CCCC(C)=O
InChIInChI=1S/C9H16O3/c1-3-8(11)9(12)6-4-5-7(2)10/h3,8-9,11-12H,1,4-6H2,2H3/t8-,9+/m1/s1
InChIKeyMYKFITGGKRRZSM-BDAKNGLRSA-N
MW172.22 g/mol
LogP0.65
Rot. Bonds6

About (6S,7R)-6,7-dihydroxynon-8-en-2-one

(6S,7R)-6,7-dihydroxynon-8-en-2-one (PubChem CID 59003863) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (6S,7R)-6,7-dihydroxynon-8-en-2-one.

Molecular Properties

Compound Name(6S,7R)-6,7-dihydroxynon-8-en-2-one
PubChem CID59003863
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(6S,7R)-6,7-dihydroxynon-8-en-2-one
SMILESC=C[C@@H](O)[C@@H](O)CCCC(C)=O
InChIInChI=1S/C9H16O3/c1-3-8(11)9(12)6-4-5-7(2)10/h3,8-9,11-12H,1,4-6H2,2H3/t8-,9+/m1/s1
InChIKeyMYKFITGGKRRZSM-BDAKNGLRSA-N
XLogP0.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-6,7-dihydroxynon-8-en-2-one?
The IUPAC name of (6S,7R)-6,7-dihydroxynon-8-en-2-one (CID 59003863) is (6S,7R)-6,7-dihydroxynon-8-en-2-one.
What is the SMILES notation for (6S,7R)-6,7-dihydroxynon-8-en-2-one?
The canonical SMILES for (6S,7R)-6,7-dihydroxynon-8-en-2-one is C=C[C@@H](O)[C@@H](O)CCCC(C)=O.
What is the InChIKey of (6S,7R)-6,7-dihydroxynon-8-en-2-one?
The InChIKey is MYKFITGGKRRZSM-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-8(11)9(12)6-4-5-7(2)10/h3,8-9,11-12H,1,4-6H2,2H3/t8-,9+/m1/s1.
What are the key properties of (6S,7R)-6,7-dihydroxynon-8-en-2-one?
(6S,7R)-6,7-dihydroxynon-8-en-2-one has a molecular weight of 172.22 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-6,7-dihydroxynon-8-en-2-one is sourced from PubChem (CID 59003863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).