methoxymethylcyclododecane

C14H28O — CID 3018712

IUPACmethoxymethylcyclododecane
SMILESCOCC1CCCCCCCCCCC1
InChIInChI=1S/C14H28O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3
InChIKeyZZCPUTXODKGFBH-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.55
Rot. Bonds2

About methoxymethylcyclododecane

methoxymethylcyclododecane (PubChem CID 3018712) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is methoxymethylcyclododecane.

Molecular Properties

Compound Namemethoxymethylcyclododecane
PubChem CID3018712
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Namemethoxymethylcyclododecane
SMILESCOCC1CCCCCCCCCCC1
InChIInChI=1S/C14H28O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3
InChIKeyZZCPUTXODKGFBH-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxymethylcyclododecane?
The IUPAC name of methoxymethylcyclododecane (CID 3018712) is methoxymethylcyclododecane.
What is the SMILES notation for methoxymethylcyclododecane?
The canonical SMILES for methoxymethylcyclododecane is COCC1CCCCCCCCCCC1.
What is the InChIKey of methoxymethylcyclododecane?
The InChIKey is ZZCPUTXODKGFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3.
What are the key properties of methoxymethylcyclododecane?
methoxymethylcyclododecane has a molecular weight of 212.38 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylcyclododecane is sourced from PubChem (CID 3018712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).