1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione

C11H16O4 — CID 11506735

IUPAC1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione
SMILESCC(=O)C(=O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C11H16O4/c1-8(12)10(13)9-7-14-11(15-9)5-3-2-4-6-11/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyOHQIVKZQGGEQDZ-SECBINFHSA-N
MW212.24 g/mol
LogP1.22
Rot. Bonds2

About 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione

1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione (PubChem CID 11506735) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione.

Molecular Properties

Compound Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione
PubChem CID11506735
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione
SMILESCC(=O)C(=O)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C11H16O4/c1-8(12)10(13)9-7-14-11(15-9)5-3-2-4-6-11/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyOHQIVKZQGGEQDZ-SECBINFHSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione 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 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione?
The IUPAC name of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione (CID 11506735) is 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione.
What is the SMILES notation for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione?
The canonical SMILES for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione is CC(=O)C(=O)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione?
The InChIKey is OHQIVKZQGGEQDZ-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O4/c1-8(12)10(13)9-7-14-11(15-9)5-3-2-4-6-11/h9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione?
1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione has a molecular weight of 212.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]propane-1,2-dione is sourced from PubChem (CID 11506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).