1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone

C18H24O2 — CID 79912329

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H24O2/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeySVJAKYBBNDQLFB-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.93
Rot. Bonds3

About 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone

1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone (PubChem CID 79912329) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
PubChem CID79912329
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H24O2/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeySVJAKYBBNDQLFB-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79912806
1-[(4R)-2,2-dimethyloxan-4-yl]-2-phenylethanone
CID 915167
2-(3,4-difluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 115783947
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-pyridin-3-ylethanone
CID 79921687
1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
CID 105118669
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-(2-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909414
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
1-oxaspiro[4.5]decane;2-phenylacetamide
CID 21117982
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone (CID 79912329) is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone is O=C(Cc1ccccc1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone?
The InChIKey is SVJAKYBBNDQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-17(13-15-7-3-1-4-8-15)16-9-12-20-18(14-16)10-5-2-6-11-18/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone?
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone has a molecular weight of 272.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone is sourced from PubChem (CID 79912329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).