(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one

C12H18O2 — CID 10655437

IUPAC(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
SMILESC=C[C@@]1(C)CC[C@]2(CCCCC2=O)O1
InChIInChI=1S/C12H18O2/c1-3-11(2)8-9-12(14-11)7-5-4-6-10(12)13/h3H,1,4-9H2,2H3/t11-,12-/m0/s1
InChIKeyZFLHAKJPHSPTNW-RYUDHWBXSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds1

About (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one

(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one (PubChem CID 10655437) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
PubChem CID10655437
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
SMILESC=C[C@@]1(C)CC[C@]2(CCCCC2=O)O1
InChIInChI=1S/C12H18O2/c1-3-11(2)8-9-12(14-11)7-5-4-6-10(12)13/h3H,1,4-9H2,2H3/t11-,12-/m0/s1
InChIKeyZFLHAKJPHSPTNW-RYUDHWBXSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10262981
(2R,5R,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10421109
(2R,5S,7R,8S)-2-ethenyl-2,7,8-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 10443549
(2R,5S,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
CID 11775737
2-Ethenyl-2-ethoxycyclohexan-1-one
CID 141401591
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10487610
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10511581
(2R,5R)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one
CID 10513241
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
CID 10607857
(2R,5S)-2-ethenyl-2,6,6-trimethyl-1-oxaspiro[4.5]decan-10-one
CID 10632833
1-(2-Methyloxolan-2-yl)oct-7-en-1-one
CID 107008328

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one?
The IUPAC name of (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one (CID 10655437) is (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one is C=C[C@@]1(C)CC[C@]2(CCCCC2=O)O1.
What is the InChIKey of (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one?
The InChIKey is ZFLHAKJPHSPTNW-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-11(2)8-9-12(14-11)7-5-4-6-10(12)13/h3H,1,4-9H2,2H3/t11-,12-/m0/s1.
What are the key properties of (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one?
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one has a molecular weight of 194.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 10655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).