(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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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).