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

C9H16O3 — CID 135024215

IUPAC(6R,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-RKDXNWHRSA-N
MW172.22 g/mol
LogP0.65
Rot. Bonds6

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

(6R,7R)-6,7-dihydroxynon-8-en-2-one (PubChem CID 135024215) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (6R,7R)-6,7-dihydroxynon-8-en-2-one.

Molecular Properties

Compound Name(6R,7R)-6,7-dihydroxynon-8-en-2-one
PubChem CID135024215
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(6R,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-RKDXNWHRSA-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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Related Compounds

7-Oxo-11-dodecen-3-ol
CID 14752697
10-Hydroxytridec-12-en-5-one
CID 85892159
8-Hydroxydec-9-ene-3,4-dione
CID 91387103
13-Hydroxyhexadec-15-en-2-one
CID 10999621
3-Hydroxyundec-1-en-5-one
CID 13031996
10-Hydroxyundec-1-en-6-one
CID 10821365
7-Hydroxynon-8-en-2-one
CID 12184253
6-Hydroxyoct-7-en-2-one
CID 12184257
6,10-Dihydroxydodec-11-en-2-one
CID 21501161
9-Hydroxyundec-10-en-2-one
CID 53972123
(6S,8E,10E,12Z,14E)-6,7-dihydroxyhenicosa-8,10,12,14-tetraen-2-one
CID 54302313
(6S,7R,8E,10E,12Z,14E,16S)-6,7,16-trihydroxyhenicosa-8,10,12,14-tetraen-2-one
CID 58624959

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6,7-dihydroxynon-8-en-2-one?
The IUPAC name of (6R,7R)-6,7-dihydroxynon-8-en-2-one (CID 135024215) is (6R,7R)-6,7-dihydroxynon-8-en-2-one.
What is the SMILES notation for (6R,7R)-6,7-dihydroxynon-8-en-2-one?
The canonical SMILES for (6R,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 (6R,7R)-6,7-dihydroxynon-8-en-2-one?
The InChIKey is MYKFITGGKRRZSM-RKDXNWHRSA-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 (6R,7R)-6,7-dihydroxynon-8-en-2-one?
(6R,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 (6R,7R)-6,7-dihydroxynon-8-en-2-one is sourced from PubChem (CID 135024215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).