6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione

C24H30O12 — CID 159322778

IUPAC6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC(=O)OC2(CCC2)O1.O=C1CC(=O)OC2(CCCC2)O1.O=C1CC(=O)OC2(CCCCC2)O1
InChIInChI=1S/C9H12O4.C8H10O4.C7H8O4/c10-7-6-8(11)13-9(12-7)4-2-1-3-5-9;9-6-5-7(10)12-8(11-6)3-1-2-4-8;8-5-4-6(9)11-7(10-5)2-1-3-7/h1-6H2;1-5H2;1-4H2
InChIKeyLDZACEPQTJENGD-UHFFFAOYSA-N
MW510.49 g/mol
LogP2.24
Rot. Bonds

About 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione

6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione (PubChem CID 159322778) has the molecular formula C24H30O12 and a molecular weight of 510.49 g/mol. Its IUPAC name is 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
PubChem CID159322778
Molecular FormulaC24H30O12
Molecular Weight510.49 g/mol
Exact Mass510.17
IUPAC Name6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC(=O)OC2(CCC2)O1.O=C1CC(=O)OC2(CCCC2)O1.O=C1CC(=O)OC2(CCCCC2)O1
InChIInChI=1S/C9H12O4.C8H10O4.C7H8O4/c10-7-6-8(11)13-9(12-7)4-2-1-3-5-9;9-6-5-7(10)12-8(11-6)3-1-2-4-8;8-5-4-6(9)11-7(10-5)2-1-3-7/h1-6H2;1-5H2;1-4H2
InChIKeyLDZACEPQTJENGD-UHFFFAOYSA-N
XLogP2.24
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.49
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione (CID 159322778) is 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione is O=C1CC(=O)OC2(CCC2)O1.O=C1CC(=O)OC2(CCCC2)O1.O=C1CC(=O)OC2(CCCCC2)O1.
What is the InChIKey of 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione?
The InChIKey is LDZACEPQTJENGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.C8H10O4.C7H8O4/c10-7-6-8(11)13-9(12-7)4-2-1-3-5-9;9-6-5-7(10)12-8(11-6)3-1-2-4-8;8-5-4-6(9)11-7(10-5)2-1-3-7/h1-6H2;1-5H2;1-4H2.
What are the key properties of 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione?
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione has a molecular weight of 510.49 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 159322778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).