(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one

C11H16O2 — CID 10511581

IUPAC(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
SMILESC=C[C@@]1(C)CC[C@@]2(CCCC2=O)O1
InChIInChI=1S/C11H16O2/c1-3-10(2)7-8-11(13-10)6-4-5-9(11)12/h3H,1,4-8H2,2H3/t10-,11+/m0/s1
InChIKeyIKUVNCRVTSWPTG-WDEREUQCSA-N
MW180.25 g/mol
LogP2.23
Rot. Bonds1

About (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one

(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one (PubChem CID 10511581) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
PubChem CID10511581
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
SMILESC=C[C@@]1(C)CC[C@@]2(CCCC2=O)O1
InChIInChI=1S/C11H16O2/c1-3-10(2)7-8-11(13-10)6-4-5-9(11)12/h3H,1,4-8H2,2H3/t10-,11+/m0/s1
InChIKeyIKUVNCRVTSWPTG-WDEREUQCSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.23
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,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one
CID 10487610
(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
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
CID 10655437
2-Ethenyl-2-undecoxycyclopentan-1-one
CID 102184309
1-(2-Methyloxolan-2-yl)oct-7-en-1-one
CID 107008328

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one?
The IUPAC name of (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one (CID 10511581) is (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one.
What is the SMILES notation for (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one?
The canonical SMILES for (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one is C=C[C@@]1(C)CC[C@@]2(CCCC2=O)O1.
What is the InChIKey of (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one?
The InChIKey is IKUVNCRVTSWPTG-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-10(2)7-8-11(13-10)6-4-5-9(11)12/h3H,1,4-8H2,2H3/t10-,11+/m0/s1.
What are the key properties of (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one?
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one has a molecular weight of 180.25 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.4]nonan-9-one is sourced from PubChem (CID 10511581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).