(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one

C12H20O2 — CID 46896966

IUPAC(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one
SMILESCC(C)[C@H]1C[C@]2(CCCCC2=O)CO1
InChIInChI=1S/C12H20O2/c1-9(2)10-7-12(8-14-10)6-4-3-5-11(12)13/h9-10H,3-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyLPEIVECINADGMI-ZYHUDNBSSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds1

About (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one

(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one (PubChem CID 46896966) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one
PubChem CID46896966
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one
SMILESCC(C)[C@H]1C[C@]2(CCCCC2=O)CO1
InChIInChI=1S/C12H20O2/c1-9(2)10-7-12(8-14-10)6-4-3-5-11(12)13/h9-10H,3-8H2,1-2H3/t10-,12-/m1/s1
InChIKeyLPEIVECINADGMI-ZYHUDNBSSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, 1-(tetrahydro-4-methyl-2H-pyran-2-yl)-
CID 89285
1-Oxaspiro[4.5]decan-7-one, 2,6,10,10-tetramethyl-
CID 103388
2(3H)-Furanone, 4,5-dihydro-4-acetyl-5-cyclohexyl-, (E)-
CID 21789892
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)ethan-1-one
CID 53488063
rac-1-((1R,2S,4S)-7-oxabicyclo(2.2.1)heptan-2-yl)ethan-1-one
CID 70317528
2,4-Dimethyl-8-oxabicyclo[3.2.1]octan-3-one
CID 12405310
(2S,3R,3aR,8aR)-2,3,3a-trimethyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]furan-4-one
CID 13834686
(3R)-3-[(2R,5S)-2-tert-butyl-5-methyloxolan-2-yl]butan-2-one
CID 11600946
1-[(2R,5S)-5-ethyl-2,4-dimethyloxolan-2-yl]propan-2-one
CID 21582354
3-(Oxolan-2-yl)cyclohexan-1-one
CID 85840148
3-Methyl-2-oxaspiro[4.5]decan-1-one
CID 12544863
3,3-Dimethyl-1-(oxan-2-yl)butan-2-one
CID 12955156

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one?
The IUPAC name of (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one (CID 46896966) is (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one is CC(C)[C@H]1C[C@]2(CCCCC2=O)CO1.
What is the InChIKey of (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one?
The InChIKey is LPEIVECINADGMI-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)10-7-12(8-14-10)6-4-3-5-11(12)13/h9-10H,3-8H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one?
(3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one has a molecular weight of 196.29 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-propan-2-yl-2-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 46896966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).