(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide

C12H25NO2 — CID 102289117

IUPAC(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide
SMILESC[C@@H](CCCC(N)=O)C[C@H](O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(6-5-7-11(13)15)8-10(14)12(2,3)4/h9-10,14H,5-8H2,1-4H3,(H2,13,15)/t9-,10-/m0/s1
InChIKeyBVWAQEKZUPVHIY-UWVGGRQHSA-N
MW215.34 g/mol
LogP2.08
Rot. Bonds6

About (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide

(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide (PubChem CID 102289117) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide.

Molecular Properties

Compound Name(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide
PubChem CID102289117
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide
SMILESC[C@@H](CCCC(N)=O)C[C@H](O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-9(6-5-7-11(13)15)8-10(14)12(2,3)4/h9-10,14H,5-8H2,1-4H3,(H2,13,15)/t9-,10-/m0/s1
InChIKeyBVWAQEKZUPVHIY-UWVGGRQHSA-N
XLogP2.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide?
The IUPAC name of (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide (CID 102289117) is (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide.
What is the SMILES notation for (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide?
The canonical SMILES for (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide is C[C@@H](CCCC(N)=O)C[C@H](O)C(C)(C)C.
What is the InChIKey of (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide?
The InChIKey is BVWAQEKZUPVHIY-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(6-5-7-11(13)15)8-10(14)12(2,3)4/h9-10,14H,5-8H2,1-4H3,(H2,13,15)/t9-,10-/m0/s1.
What are the key properties of (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide?
(5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide has a molecular weight of 215.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-7-hydroxy-5,8,8-trimethylnonanamide is sourced from PubChem (CID 102289117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).