propoxymethylcyclononane

C13H26O — CID 59773742

IUPACpropoxymethylcyclononane
SMILESCCCOCC1CCCCCCCC1
InChIInChI=1S/C13H26O/c1-2-11-14-12-13-9-7-5-3-4-6-8-10-13/h13H,2-12H2,1H3
InChIKeyBELYGBIAQREXNC-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.16
Rot. Bonds4

About propoxymethylcyclononane

propoxymethylcyclononane (PubChem CID 59773742) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is propoxymethylcyclononane.

Molecular Properties

Compound Namepropoxymethylcyclononane
PubChem CID59773742
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Namepropoxymethylcyclononane
SMILESCCCOCC1CCCCCCCC1
InChIInChI=1S/C13H26O/c1-2-11-14-12-13-9-7-5-3-4-6-8-10-13/h13H,2-12H2,1H3
InChIKeyBELYGBIAQREXNC-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propoxymethylcyclononane?
The IUPAC name of propoxymethylcyclononane (CID 59773742) is propoxymethylcyclononane.
What is the SMILES notation for propoxymethylcyclononane?
The canonical SMILES for propoxymethylcyclononane is CCCOCC1CCCCCCCC1.
What is the InChIKey of propoxymethylcyclononane?
The InChIKey is BELYGBIAQREXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-2-11-14-12-13-9-7-5-3-4-6-8-10-13/h13H,2-12H2,1H3.
What are the key properties of propoxymethylcyclononane?
propoxymethylcyclononane has a molecular weight of 198.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propoxymethylcyclononane is sourced from PubChem (CID 59773742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).