methoxymethylidenecyclododecane

C14H26O — CID 12553326

IUPACmethoxymethylidenecyclododecane
SMILESCOC=C1CCCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h13H,2-12H2,1H3
InChIKeyADXOLISMOZTUFE-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.82
Rot. Bonds1

About methoxymethylidenecyclododecane

methoxymethylidenecyclododecane (PubChem CID 12553326) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is methoxymethylidenecyclododecane.

Molecular Properties

Compound Namemethoxymethylidenecyclododecane
PubChem CID12553326
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Namemethoxymethylidenecyclododecane
SMILESCOC=C1CCCCCCCCCCC1
InChIInChI=1S/C14H26O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h13H,2-12H2,1H3
InChIKeyADXOLISMOZTUFE-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethylidenecyclododecane?
The IUPAC name of methoxymethylidenecyclododecane (CID 12553326) is methoxymethylidenecyclododecane.
What is the SMILES notation for methoxymethylidenecyclododecane?
The canonical SMILES for methoxymethylidenecyclododecane is COC=C1CCCCCCCCCCC1.
What is the InChIKey of methoxymethylidenecyclododecane?
The InChIKey is ADXOLISMOZTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-15-13-14-11-9-7-5-3-2-4-6-8-10-12-14/h13H,2-12H2,1H3.
What are the key properties of methoxymethylidenecyclododecane?
methoxymethylidenecyclododecane has a molecular weight of 210.36 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylidenecyclododecane is sourced from PubChem (CID 12553326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).