hept-6-enoxymethylcyclopentane

C13H24O — CID 53248073

IUPAChept-6-enoxymethylcyclopentane
SMILESC=CCCCCCOCC1CCCC1
InChIInChI=1S/C13H24O/c1-2-3-4-5-8-11-14-12-13-9-6-7-10-13/h2,13H,1,3-12H2
InChIKeyCLJZHLDBMISPNR-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds8

About hept-6-enoxymethylcyclopentane

hept-6-enoxymethylcyclopentane (PubChem CID 53248073) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is hept-6-enoxymethylcyclopentane.

Molecular Properties

Compound Namehept-6-enoxymethylcyclopentane
PubChem CID53248073
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Namehept-6-enoxymethylcyclopentane
SMILESC=CCCCCCOCC1CCCC1
InChIInChI=1S/C13H24O/c1-2-3-4-5-8-11-14-12-13-9-6-7-10-13/h2,13H,1,3-12H2
InChIKeyCLJZHLDBMISPNR-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hept-6-enoxymethylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hept-6-enoxymethylcyclopentane?
The IUPAC name of hept-6-enoxymethylcyclopentane (CID 53248073) is hept-6-enoxymethylcyclopentane.
What is the SMILES notation for hept-6-enoxymethylcyclopentane?
The canonical SMILES for hept-6-enoxymethylcyclopentane is C=CCCCCCOCC1CCCC1.
What is the InChIKey of hept-6-enoxymethylcyclopentane?
The InChIKey is CLJZHLDBMISPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-5-8-11-14-12-13-9-6-7-10-13/h2,13H,1,3-12H2.
What are the key properties of hept-6-enoxymethylcyclopentane?
hept-6-enoxymethylcyclopentane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hept-6-enoxymethylcyclopentane is sourced from PubChem (CID 53248073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).