5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one

C12H20O3 — CID 11085113

IUPAC5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one
SMILESCC(=O)CCCC1CCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-10(13)4-2-5-11-6-3-7-12(11)14-8-9-15-12/h11H,2-9H2,1H3
InChIKeyRVXQDKSNUXRGOY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.29
Rot. Bonds4

About 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one

5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one (PubChem CID 11085113) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one
PubChem CID11085113
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one
SMILESCC(=O)CCCC1CCCC12OCCO2
InChIInChI=1S/C12H20O3/c1-10(13)4-2-5-11-6-3-7-12(11)14-8-9-15-12/h11H,2-9H2,1H3
InChIKeyRVXQDKSNUXRGOY-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one?
The IUPAC name of 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one (CID 11085113) is 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one?
The canonical SMILES for 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one is CC(=O)CCCC1CCCC12OCCO2.
What is the InChIKey of 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one?
The InChIKey is RVXQDKSNUXRGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-10(13)4-2-5-11-6-3-7-12(11)14-8-9-15-12/h11H,2-9H2,1H3.
What are the key properties of 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one?
5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.4]nonan-9-yl)pentan-2-one is sourced from PubChem (CID 11085113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).