3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one

C18H24O2 — CID 102898916

IUPAC3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1CCC2(CCCCC2)O1)c1ccccc1
InChIInChI=1S/C18H24O2/c19-17(15-7-3-1-4-8-15)10-9-16-11-14-18(20-16)12-5-2-6-13-18/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyJNNHCVSOKXNDHV-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.53
Rot. Bonds4

About 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one

3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one (PubChem CID 102898916) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one
PubChem CID102898916
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one
SMILESO=C(CCC1CCC2(CCCCC2)O1)c1ccccc1
InChIInChI=1S/C18H24O2/c19-17(15-7-3-1-4-8-15)10-9-16-11-14-18(20-16)12-5-2-6-13-18/h1,3-4,7-8,16H,2,5-6,9-14H2
InChIKeyJNNHCVSOKXNDHV-UHFFFAOYSA-N
XLogP4.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)-1-phenylpropan-1-one
CID 102898959
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
2-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)benzoic acid
CID 102896253
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
3-(1-methylcyclohexyl)-1-phenylpropan-1-one
CID 164668624
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
2-(3-oxo-3-phenylpropyl)cyclopentane-1,3-dione
CID 101408905
1-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-oxopyridine-4-carboxylic acid
CID 102898720
1-[4-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846311
[(2S,4R)-2-(hydroxymethyl)-1-oxaspiro[4.5]decan-4-yl]-phenylmethanone
CID 11242806
2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
CID 79894178

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one (CID 102898916) is 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one is O=C(CCC1CCC2(CCCCC2)O1)c1ccccc1.
What is the InChIKey of 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one?
The InChIKey is JNNHCVSOKXNDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-17(15-7-3-1-4-8-15)10-9-16-11-14-18(20-16)12-5-2-6-13-18/h1,3-4,7-8,16H,2,5-6,9-14H2.
What are the key properties of 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one?
3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[4.5]decan-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 102898916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).