oxan-2-ylmethyl 6-acetamidohexanoate

C14H25NO4 — CID 134050656

IUPACoxan-2-ylmethyl 6-acetamidohexanoate
SMILESCC(=O)NCCCCCC(=O)OCC1CCCCO1
InChIInChI=1S/C14H25NO4/c1-12(16)15-9-5-2-3-8-14(17)19-11-13-7-4-6-10-18-13/h13H,2-11H2,1H3,(H,15,16)
InChIKeyHTDFZPZWDPSEHC-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.80
Rot. Bonds8

About oxan-2-ylmethyl 6-acetamidohexanoate

oxan-2-ylmethyl 6-acetamidohexanoate (PubChem CID 134050656) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is oxan-2-ylmethyl 6-acetamidohexanoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 6-acetamidohexanoate
PubChem CID134050656
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameoxan-2-ylmethyl 6-acetamidohexanoate
SMILESCC(=O)NCCCCCC(=O)OCC1CCCCO1
InChIInChI=1S/C14H25NO4/c1-12(16)15-9-5-2-3-8-14(17)19-11-13-7-4-6-10-18-13/h13H,2-11H2,1H3,(H,15,16)
InChIKeyHTDFZPZWDPSEHC-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
6-[2-(oxan-2-ylmethoxy)propanoylamino]hexanoic acid
CID 119219939
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
hexyl oxan-2-ylmethyl carbonate
CID 67045710
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
6-acetamido-N-cyclopentyloxyhexanamide
CID 83206356

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 6-acetamidohexanoate?
The IUPAC name of oxan-2-ylmethyl 6-acetamidohexanoate (CID 134050656) is oxan-2-ylmethyl 6-acetamidohexanoate.
What is the SMILES notation for oxan-2-ylmethyl 6-acetamidohexanoate?
The canonical SMILES for oxan-2-ylmethyl 6-acetamidohexanoate is CC(=O)NCCCCCC(=O)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 6-acetamidohexanoate?
The InChIKey is HTDFZPZWDPSEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-12(16)15-9-5-2-3-8-14(17)19-11-13-7-4-6-10-18-13/h13H,2-11H2,1H3,(H,15,16).
What are the key properties of oxan-2-ylmethyl 6-acetamidohexanoate?
oxan-2-ylmethyl 6-acetamidohexanoate has a molecular weight of 271.36 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 6-acetamidohexanoate is sourced from PubChem (CID 134050656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).