5-(1-hydroxyhexyl)oxolane-2-carboxamide

C11H21NO3 — CID 86258242

IUPAC5-(1-hydroxyhexyl)oxolane-2-carboxamide
SMILESCCCCCC(O)C1CCC(C(N)=O)O1
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-8(13)9-6-7-10(15-9)11(12)14/h8-10,13H,2-7H2,1H3,(H2,12,14)
InChIKeyGJJKDUGKRXGWDG-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds6

About 5-(1-hydroxyhexyl)oxolane-2-carboxamide

5-(1-hydroxyhexyl)oxolane-2-carboxamide (PubChem CID 86258242) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(1-hydroxyhexyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(1-hydroxyhexyl)oxolane-2-carboxamide
PubChem CID86258242
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(1-hydroxyhexyl)oxolane-2-carboxamide
SMILESCCCCCC(O)C1CCC(C(N)=O)O1
InChIInChI=1S/C11H21NO3/c1-2-3-4-5-8(13)9-6-7-10(15-9)11(12)14/h8-10,13H,2-7H2,1H3,(H2,12,14)
InChIKeyGJJKDUGKRXGWDG-UHFFFAOYSA-N
XLogP0.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
methyl 9-hydroxy-9-(5-pentyloxolan-2-yl)nonanoate
CID 54270622
(5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-one
CID 11099459
(1R)-1-[(2R,5R)-5-(iodomethyl)oxolan-2-yl]pentan-1-ol
CID 10851587
(2S)-4-[(17S)-17-hydroxy-17-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2-methyl-2H-furan-5-one
CID 162880099

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyhexyl)oxolane-2-carboxamide?
The IUPAC name of 5-(1-hydroxyhexyl)oxolane-2-carboxamide (CID 86258242) is 5-(1-hydroxyhexyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(1-hydroxyhexyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(1-hydroxyhexyl)oxolane-2-carboxamide is CCCCCC(O)C1CCC(C(N)=O)O1.
What is the InChIKey of 5-(1-hydroxyhexyl)oxolane-2-carboxamide?
The InChIKey is GJJKDUGKRXGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-5-8(13)9-6-7-10(15-9)11(12)14/h8-10,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of 5-(1-hydroxyhexyl)oxolane-2-carboxamide?
5-(1-hydroxyhexyl)oxolane-2-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyhexyl)oxolane-2-carboxamide is sourced from PubChem (CID 86258242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).