4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

C15H26O3 — CID 105119058

IUPAC4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCCOCCCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26O3/c1-2-17-10-5-6-14(16)13-7-11-18-15(12-13)8-3-4-9-15/h13H,2-12H2,1H3
InChIKeyGCEGDKJOJFPTGS-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.11
Rot. Bonds6

About 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 105119058) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID105119058
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCCOCCCC(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H26O3/c1-2-17-10-5-6-14(16)13-7-11-18-15(12-13)8-3-4-9-15/h13H,2-12H2,1H3
InChIKeyGCEGDKJOJFPTGS-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-ethoxypropan-1-one
CID 105116599
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-one
CID 105116596
1-(6-oxaspiro[4.5]decan-9-yl)-3-piperidin-4-yloxypropan-1-one
CID 116572227
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 105115694

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (CID 105119058) is 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is CCOCCCC(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is GCEGDKJOJFPTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-17-10-5-6-14(16)13-7-11-18-15(12-13)8-3-4-9-15/h13H,2-12H2,1H3.
What are the key properties of 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 254.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 105119058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).