1-spiro[4.5]decan-8-ylpropan-1-one

C13H22O — CID 114820945

IUPAC1-spiro[4.5]decan-8-ylpropan-1-one
SMILESCCC(=O)C1CCC2(CCCC2)CC1
InChIInChI=1S/C13H22O/c1-2-12(14)11-5-9-13(10-6-11)7-3-4-8-13/h11H,2-10H2,1H3
InChIKeyQIWRAWDWEHUWOP-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds2

About 1-spiro[4.5]decan-8-ylpropan-1-one

1-spiro[4.5]decan-8-ylpropan-1-one (PubChem CID 114820945) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-spiro[4.5]decan-8-ylpropan-1-one.

Molecular Properties

Compound Name1-spiro[4.5]decan-8-ylpropan-1-one
PubChem CID114820945
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-spiro[4.5]decan-8-ylpropan-1-one
SMILESCCC(=O)C1CCC2(CCCC2)CC1
InChIInChI=1S/C13H22O/c1-2-12(14)11-5-9-13(10-6-11)7-3-4-8-13/h11H,2-10H2,1H3
InChIKeyQIWRAWDWEHUWOP-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluorospiro[2.5]octan-6-yl)propan-1-one
CID 130457436
1-(4-hydroxycyclohexyl)propan-1-one
CID 51039861
4-propanoylcyclohexane-1-carboxamide
CID 118218321
spiro[3.5]nonane-7-carboxamide
CID 90020117
1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
1-[(4S)-2,2-dimethylthian-4-yl]propan-1-one
CID 911670
spiro[4.5]decane-3-carboxylic acid
CID 13443385
2-(1-aminocyclopentyl)-1-(4-ethylcyclohexyl)ethanone
CID 116578763
N-(1-oxo-4-propanoylthian-1-ylidene)acetamide
CID 139365600
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
2-(1-aminocyclohexyl)-1-cyclopropylethanone
CID 116579120

Frequently Asked Questions

What is the IUPAC name of 1-spiro[4.5]decan-8-ylpropan-1-one?
The IUPAC name of 1-spiro[4.5]decan-8-ylpropan-1-one (CID 114820945) is 1-spiro[4.5]decan-8-ylpropan-1-one.
What is the SMILES notation for 1-spiro[4.5]decan-8-ylpropan-1-one?
The canonical SMILES for 1-spiro[4.5]decan-8-ylpropan-1-one is CCC(=O)C1CCC2(CCCC2)CC1.
What is the InChIKey of 1-spiro[4.5]decan-8-ylpropan-1-one?
The InChIKey is QIWRAWDWEHUWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-2-12(14)11-5-9-13(10-6-11)7-3-4-8-13/h11H,2-10H2,1H3.
What are the key properties of 1-spiro[4.5]decan-8-ylpropan-1-one?
1-spiro[4.5]decan-8-ylpropan-1-one has a molecular weight of 194.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4.5]decan-8-ylpropan-1-one is sourced from PubChem (CID 114820945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).