9-hydroxy-N,N,8-trimethyldec-5-enamide

C13H25NO2 — CID 91111661

IUPAC9-hydroxy-N,N,8-trimethyldec-5-enamide
SMILESCC(O)C(C)CC=CCCCC(=O)N(C)C
InChIInChI=1S/C13H25NO2/c1-11(12(2)15)9-7-5-6-8-10-13(16)14(3)4/h5,7,11-12,15H,6,8-10H2,1-4H3
InChIKeyVGISMAVIBTWSRY-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.21
Rot. Bonds7

About 9-hydroxy-N,N,8-trimethyldec-5-enamide

9-hydroxy-N,N,8-trimethyldec-5-enamide (PubChem CID 91111661) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 9-hydroxy-N,N,8-trimethyldec-5-enamide.

Molecular Properties

Compound Name9-hydroxy-N,N,8-trimethyldec-5-enamide
PubChem CID91111661
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name9-hydroxy-N,N,8-trimethyldec-5-enamide
SMILESCC(O)C(C)CC=CCCCC(=O)N(C)C
InChIInChI=1S/C13H25NO2/c1-11(12(2)15)9-7-5-6-8-10-13(16)14(3)4/h5,7,11-12,15H,6,8-10H2,1-4H3
InChIKeyVGISMAVIBTWSRY-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
CID 134872524
(2S,4S)-4-hydroxy-N,N,2-trimethylhex-5-enamide
CID 134892530
6-Hydroxy-5-methylhept-3-enoic acid, dimethylamide
CID 5366312
(5E,7Z,9E)-4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide
CID 44209048
4,11-dihydroxy-N,N,12-trimethyltrideca-5,7,9-trienamide
CID 54246756
2-(5-hydroxycyclopent-2-en-1-yl)-N,N-dimethylacetamide
CID 67855878
(E,9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide
CID 90161266
10-hydroxy-N,N,9-trimethylundec-6-enamide
CID 91063059
7-hydroxy-N,N,2,2,6-pentamethyloct-3-enamide
CID 91267024
8-hydroxy-N,N,7-trimethylnon-4-enamide
CID 91392114
(9R,10S)-10-hydroxy-N,N,9-trimethylundec-6-enamide
CID 123166371
(E)-8-hydroxy-N,N,7-trimethylnon-4-enamide
CID 143932155

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N,N,8-trimethyldec-5-enamide?
The IUPAC name of 9-hydroxy-N,N,8-trimethyldec-5-enamide (CID 91111661) is 9-hydroxy-N,N,8-trimethyldec-5-enamide.
What is the SMILES notation for 9-hydroxy-N,N,8-trimethyldec-5-enamide?
The canonical SMILES for 9-hydroxy-N,N,8-trimethyldec-5-enamide is CC(O)C(C)CC=CCCCC(=O)N(C)C.
What is the InChIKey of 9-hydroxy-N,N,8-trimethyldec-5-enamide?
The InChIKey is VGISMAVIBTWSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(12(2)15)9-7-5-6-8-10-13(16)14(3)4/h5,7,11-12,15H,6,8-10H2,1-4H3.
What are the key properties of 9-hydroxy-N,N,8-trimethyldec-5-enamide?
9-hydroxy-N,N,8-trimethyldec-5-enamide has a molecular weight of 227.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N,N,8-trimethyldec-5-enamide is sourced from PubChem (CID 91111661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).