1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one

C8H12O2 — CID 84648509

IUPAC1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
SMILESCC(=O)CC1CC12COC2
InChIInChI=1S/C8H12O2/c1-6(9)2-7-3-8(7)4-10-5-8/h7H,2-5H2,1H3
InChIKeyWNODNCHHRYOQPP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.00
Rot. Bonds2

About 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one

1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one (PubChem CID 84648509) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
PubChem CID84648509
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one
SMILESCC(=O)CC1CC12COC2
InChIInChI=1S/C8H12O2/c1-6(9)2-7-3-8(7)4-10-5-8/h7H,2-5H2,1H3
InChIKeyWNODNCHHRYOQPP-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethyloxan-3-yl)propan-2-one
CID 14027507
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 15006382
1-(oxiran-2-yl)propan-2-one
CID 15110788
1-[2-[1-(methylamino)ethyl]-2-propan-2-ylcyclopropyl]propan-2-one
CID 164822537
6-oxaspiro[2.5]octan-2-ylmethyl acetate
CID 131042123
1-[7a-(iodomethyl)-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-7-yl]propan-2-one
CID 174871350
1-dispiro[2.0.24.13]heptan-7-ylpropan-2-one
CID 158129773
1-(1,4,4-trimethylpyrrolidin-3-yl)propan-2-one
CID 130028083
2-azaspiro[3.4]octane;cyclohexane;bis(cyclohexanol);bis(cyclopentanol);bis(1-cyclopentylpropan-2-one);bis(ethylcyclopentane);methylcyclohexane;2-oxaspiro[3.4]octane
CID 158651192
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
CID 130640853

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one?
The IUPAC name of 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one (CID 84648509) is 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one?
The canonical SMILES for 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one is CC(=O)CC1CC12COC2.
What is the InChIKey of 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one?
The InChIKey is WNODNCHHRYOQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(9)2-7-3-8(7)4-10-5-8/h7H,2-5H2,1H3.
What are the key properties of 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one?
1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[2.3]hexan-2-yl)propan-2-one is sourced from PubChem (CID 84648509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).