(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one

C14H20O2 — CID 102329754

IUPAC(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C[C@H]1CC[C@H](C=C)C12C[C@@H](CC)C(=O)O2
InChIInChI=1S/C14H20O2/c1-4-10-9-14(16-13(10)15)11(5-2)7-8-12(14)6-3/h5-6,10-12H,2-4,7-9H2,1H3/t10-,11+,12+/m1/s1
InChIKeySYUUKBIJFVZZLO-WOPDTQHZSA-N
MW220.31 g/mol
LogP3.10
Rot. Bonds3

About (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one

(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 102329754) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
PubChem CID102329754
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C[C@H]1CC[C@H](C=C)C12C[C@@H](CC)C(=O)O2
InChIInChI=1S/C14H20O2/c1-4-10-9-14(16-13(10)15)11(5-2)7-8-12(14)6-3/h5-6,10-12H,2-4,7-9H2,1H3/t10-,11+,12+/m1/s1
InChIKeySYUUKBIJFVZZLO-WOPDTQHZSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.10
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

(3S,6S,9S)-3-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 11559916
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (3S,6S,9S)-6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 11545229
3-ethyl-5-[2-(hydroxymethyl)butyl]-5-methyloxolan-2-one
CID 23243024
(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
CID 11240580
(2'R,3aS,5'S,7aR)-2',5'-bis(ethenyl)spiro[3a,4,7,7a-tetrahydro-2-benzofuran-3,1'-cyclopentane]-1-one
CID 15197268
(3R,5S)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyloxolan-2-one
CID 912934
(3R,6R)-3,6-diethyloxan-2-one
CID 129383113
methyl (3R,6S,9R)-6,9-bis(ethenyl)-2-oxo-3-propan-2-yl-1-oxaspiro[4.4]nonane-3-carboxylate
CID 10541676
3-methyl-5,5-bis(prop-2-enyl)oxolan-2-one
CID 11182979
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undecane-2,8-dione
CID 15402415
3-but-3-enyl-1-oxaspiro[4.5]decan-2-one
CID 10443046
4-ethyl-6-hydroxy-8-methyl-2-oxabicyclo[4.3.1]decan-3-one
CID 129287787

Frequently Asked Questions

What is the IUPAC name of (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one (CID 102329754) is (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one is C=C[C@H]1CC[C@H](C=C)C12C[C@@H](CC)C(=O)O2.
What is the InChIKey of (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is SYUUKBIJFVZZLO-WOPDTQHZSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-10-9-14(16-13(10)15)11(5-2)7-8-12(14)6-3/h5-6,10-12H,2-4,7-9H2,1H3/t10-,11+,12+/m1/s1.
What are the key properties of (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one?
(3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,9R)-6,9-bis(ethenyl)-3-ethyl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 102329754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).