2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

C14H24O4 — CID 114032509

IUPAC2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
SMILESCOCCOCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O4/c1-16-8-9-17-11-13(15)12-4-7-18-14(10-12)5-2-3-6-14/h12H,2-11H2,1H3
InChIKeyFZKIGFSHULIAJD-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.96
Rot. Bonds6

About 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone (PubChem CID 114032509) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
PubChem CID114032509
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
SMILESCOCCOCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O4/c1-16-8-9-17-11-13(15)12-4-7-18-14(10-12)5-2-3-6-14/h12H,2-11H2,1H3
InChIKeyFZKIGFSHULIAJD-UHFFFAOYSA-N
XLogP1.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-propoxyethanone
CID 79922148
4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058
2-(2-aminoethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanone
CID 116590914
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 116575346
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
CID 116572227
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone (CID 114032509) is 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone is COCCOCC(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
The InChIKey is FZKIGFSHULIAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-16-8-9-17-11-13(15)12-4-7-18-14(10-12)5-2-3-6-14/h12H,2-11H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone?
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone has a molecular weight of 256.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone is sourced from PubChem (CID 114032509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).