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(Methoxymethyl)cyclododecane

HCID 3018712
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
77352-27-3
Standard SMILES
COCC1CCCCCCCCCCC1
InChIKey
ZZCPUTXODKGFBH-UHFFFAOYSA-N
Molecular formula
C14H28O
Average molar mass
212.37 g/mol
Monoisotopic mass
212.21401552

Names & identifiers

Preferred name
(Methoxymethyl)cyclododecane
IUPAC
methoxymethylcyclododecane
English name
(methoxymethyl)cyclododecane
Molecular formula
C14H28O
Molecular weight
212.37152

Names & synonyms

(Methoxymethyl)cyclododecane77352-27-3EINECS 278-671-6DTXSID20998576RefChem:70147DTXCID001425562278-671-6Cyclododecylmethyl-methyl-etherSCHEMBL11224706NS00059690

Database identifiers

CAS
77352-27-3
PubChem CID
3018712
DTXSID
DTXSID20998576
EC Number
278-671-6
Nikkaji
J309.382D

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
121

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Related reactions

2 records
New reaction record
HRID 2198797 reaction equation
HRID 2198797As productuspto-grants-1982_11
HRID 2338122 reaction equation
HRID 2338122As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes