methoxymethylidenecyclopentane

C7H12O — CID 12584841

IUPACmethoxymethylidenecyclopentane
SMILESCOC=C1CCCC1
InChIInChI=1S/C7H12O/c1-8-6-7-4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyXJDHMMRGHOVOPF-UHFFFAOYSA-N
MW112.17 g/mol
LogP2.09
Rot. Bonds1

About methoxymethylidenecyclopentane

methoxymethylidenecyclopentane (PubChem CID 12584841) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is methoxymethylidenecyclopentane.

Molecular Properties

Compound Namemethoxymethylidenecyclopentane
PubChem CID12584841
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namemethoxymethylidenecyclopentane
SMILESCOC=C1CCCC1
InChIInChI=1S/C7H12O/c1-8-6-7-4-2-3-5-7/h6H,2-5H2,1H3
InChIKeyXJDHMMRGHOVOPF-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 52.09
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 methoxymethylidenecyclopentane?
The IUPAC name of methoxymethylidenecyclopentane (CID 12584841) is methoxymethylidenecyclopentane.
What is the SMILES notation for methoxymethylidenecyclopentane?
The canonical SMILES for methoxymethylidenecyclopentane is COC=C1CCCC1.
What is the InChIKey of methoxymethylidenecyclopentane?
The InChIKey is XJDHMMRGHOVOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-8-6-7-4-2-3-5-7/h6H,2-5H2,1H3.
What are the key properties of methoxymethylidenecyclopentane?
methoxymethylidenecyclopentane has a molecular weight of 112.17 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylidenecyclopentane is sourced from PubChem (CID 12584841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).