1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone

C9H14O3 — CID 10442114

IUPAC1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone
SMILESCC(=O)C1CCCC12OCCO2
InChIInChI=1S/C9H14O3/c1-7(10)8-3-2-4-9(8)11-5-6-12-9/h8H,2-6H2,1H3
InChIKeyDLYNVAVICIRXAM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone

1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone (PubChem CID 10442114) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone
PubChem CID10442114
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone
SMILESCC(=O)C1CCCC12OCCO2
InChIInChI=1S/C9H14O3/c1-7(10)8-3-2-4-9(8)11-5-6-12-9/h8H,2-6H2,1H3
InChIKeyDLYNVAVICIRXAM-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone?
The IUPAC name of 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone (CID 10442114) is 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone?
The canonical SMILES for 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone is CC(=O)C1CCCC12OCCO2.
What is the InChIKey of 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone?
The InChIKey is DLYNVAVICIRXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(10)8-3-2-4-9(8)11-5-6-12-9/h8H,2-6H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone?
1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone has a molecular weight of 170.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.4]nonan-9-yl)ethanone is sourced from PubChem (CID 10442114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).