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

1-Chloro-2-dodecyloxyethane

HCID 545563
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
29677-36-9
Standard SMILES
CCCCCCCCCCCCOCCCl
InChIKey
YDOHNPVDVXAVOB-UHFFFAOYSA-N
Molecular formula
C14H29ClO
Average molar mass
248.83 g/mol
Monoisotopic mass
248.1906932

Names & identifiers

Preferred name
1-Chloro-2-dodecyloxyethane
IUPAC
1-(2-chloroethoxy)dodecane

Names & synonyms

1-Chloro-2-dodecyloxyethaneDTXSID6088088029677-36-9RefChem:229280DTXCID301022228YDOHNPVDVXAVOB-UHFFFAOYSA-N2-chloro-1-dodecyloxyethane1-(2-Chloroethoxy)dodecane2-dodecyloxyethylchloride2-dodecyloxy ethylchloride1-(2-Chloroethoxy)dodecane #SCHEMBL10357799
Show more names
SBB060222AKOS024390821NS00096157ST51046448

Database identifiers

CAS
29677-36-9
PubChem CID
545563
DTXSID
DTXSID60880880

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
13
Heavy atoms
16
Formal charge
0
Complexity
117

Related reactions

2 records
New reaction record
HRID 1788771 reaction equation
HRID 1788771As reactantuspto-grants-1987_08
HRID 2333029 reaction equation
HRID 2333029As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes