1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone

C12H20O4 — CID 79921354

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20O4/c1-2-14-8-11(13)10-3-5-16-12(7-10)4-6-15-9-12/h10H,2-9H2,1H3
InChIKeyXYIXQQBAAQQKOE-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone (PubChem CID 79921354) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone
PubChem CID79921354
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20O4/c1-2-14-8-11(13)10-3-5-16-12(7-10)4-6-15-9-12/h10H,2-9H2,1H3
InChIKeyXYIXQQBAAQQKOE-UHFFFAOYSA-N
XLogP1.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone (CID 79921354) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone is CCOCC(=O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone?
The InChIKey is XYIXQQBAAQQKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-14-8-11(13)10-3-5-16-12(7-10)4-6-15-9-12/h10H,2-9H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone has a molecular weight of 228.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-ethoxyethanone is sourced from PubChem (CID 79921354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).