3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C11H18O3 — CID 45480934

IUPAC3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOCCCC1C(=O)OC2CCCC21
InChIInChI=1S/C11H18O3/c1-13-7-3-5-9-8-4-2-6-10(8)14-11(9)12/h8-10H,2-7H2,1H3
InChIKeyJFXYXYOSRNYUFD-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.75
Rot. Bonds4

About 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 45480934) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID45480934
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCOCCCC1C(=O)OC2CCCC21
InChIInChI=1S/C11H18O3/c1-13-7-3-5-9-8-4-2-6-10(8)14-11(9)12/h8-10H,2-7H2,1H3
InChIKeyJFXYXYOSRNYUFD-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one 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 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 45480934) is 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is COCCCC1C(=O)OC2CCCC21.
What is the InChIKey of 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is JFXYXYOSRNYUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-7-3-5-9-8-4-2-6-10(8)14-11(9)12/h8-10H,2-7H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 198.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 45480934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).