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

C10H18O2 — CID 58373598

IUPAC(6S,7R)-7-hydroxy-6-methylnon-8-en-2-one
SMILESC=C[C@@H](O)[C@@H](C)CCCC(C)=O
InChIInChI=1S/C10H18O2/c1-4-10(12)8(2)6-5-7-9(3)11/h4,8,10,12H,1,5-7H2,2-3H3/t8-,10+/m0/s1
InChIKeyPAIOTHNFSRTALJ-WCBMZHEXSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds6

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

(6S,7R)-7-hydroxy-6-methylnon-8-en-2-one (PubChem CID 58373598) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one.

Molecular Properties

Compound Name(6S,7R)-7-hydroxy-6-methylnon-8-en-2-one
PubChem CID58373598
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(6S,7R)-7-hydroxy-6-methylnon-8-en-2-one
SMILESC=C[C@@H](O)[C@@H](C)CCCC(C)=O
InChIInChI=1S/C10H18O2/c1-4-10(12)8(2)6-5-7-9(3)11/h4,8,10,12H,1,5-7H2,2-3H3/t8-,10+/m0/s1
InChIKeyPAIOTHNFSRTALJ-WCBMZHEXSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-7-hydroxy-6-methylnon-8-en-2-one?
The IUPAC name of (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one (CID 58373598) is (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one.
What is the SMILES notation for (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one?
The canonical SMILES for (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one is C=C[C@@H](O)[C@@H](C)CCCC(C)=O.
What is the InChIKey of (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one?
The InChIKey is PAIOTHNFSRTALJ-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-10(12)8(2)6-5-7-9(3)11/h4,8,10,12H,1,5-7H2,2-3H3/t8-,10+/m0/s1.
What are the key properties of (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one?
(6S,7R)-7-hydroxy-6-methylnon-8-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-7-hydroxy-6-methylnon-8-en-2-one is sourced from PubChem (CID 58373598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).