HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

11-Methyl-8-oxa-13-tridecanolide

HCID 10799375
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CCOCCCCCCC(=O)OCC1
InChIKey
BKFPNEVYDQHZNR-UHFFFAOYSA-N
Molecular formula
C13H24O3
Average molar mass
228.33 g/mol

Names & identifiers

Preferred name
11-Methyl-8-oxa-13-tridecanolide
IUPAC
4-methyl-1,7-dioxacyclotetradecan-8-one

Names & synonyms

BKFPNEVYDQHZNR-UHFFFAOYSA-N11-Methyl-8-oxa-13-tridecanolide

Database identifiers

PubChem CID
10799375
Nikkaji
J1.025.754I

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
192

Related reactions

8 records
New reaction record
HRID 308758 reaction equation
HRID 308758As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 617276 reaction equation
HRID 617276As reactantuspto-grants-1999_09
HRID 617277 reaction equation
HRID 617277As reactantuspto-grants-1999_09
HRID 617278 reaction equation
HRID 617278As reactantuspto-grants-1999_09
HRID 617279 reaction equation
HRID 617279As reactantuspto-grants-1999_09
HRID 1555096 reaction equation
HRID 1555096As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1573523 reaction equation
HRID 1573523As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2156567 reaction equation
HRID 2156567As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes