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

C12H16O2 — CID 11074246

IUPAC(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
SMILESC=C[C@@H]1CC[C@@H](C=C)C12CCC(=O)O2
InChIInChI=1S/C12H16O2/c1-3-9-5-6-10(4-2)12(9)8-7-11(13)14-12/h3-4,9-10H,1-2,5-8H2/t9-,10-/m1/s1
InChIKeyPMDJSEVZWCMQLU-NXEZZACHSA-N
MW192.26 g/mol
LogP2.46
Rot. Bonds2

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

(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one (PubChem CID 11074246) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
PubChem CID11074246
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
SMILESC=C[C@@H]1CC[C@@H](C=C)C12CCC(=O)O2
InChIInChI=1S/C12H16O2/c1-3-9-5-6-10(4-2)12(9)8-7-11(13)14-12/h3-4,9-10H,1-2,5-8H2/t9-,10-/m1/s1
InChIKeyPMDJSEVZWCMQLU-NXEZZACHSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.46
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

Curcumalactone
CID 15071433
(3S,5S,6S,9S)-6-methyl-3-propan-2-yl-9-prop-1-en-2-yl-1-oxaspiro[4.4]nonan-2-one
CID 101618788
Citrinovirin
CID 156581283
1-Oxa-3-isopropyl-6-methyl-9-isopropenyl-spiro(4,4)nonan-2-one
CID 578234
methyl (6S,9S)-6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 11322659
6,9-Bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 15111631
(3aS,6aS)-5-ethenyl-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 17757839
(1S,2S,6R,7R)-5,5-bis(prop-2-enyl)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
CID 71559511
Methyl 6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 72801077
(9R)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 135042809
(3S,6S,9R)-3-butyl-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 10514719
Spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-2'-one
CID 12303354

Frequently Asked Questions

What is the IUPAC name of (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one (CID 11074246) is (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one is C=C[C@@H]1CC[C@@H](C=C)C12CCC(=O)O2.
What is the InChIKey of (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is PMDJSEVZWCMQLU-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-9-5-6-10(4-2)12(9)8-7-11(13)14-12/h3-4,9-10H,1-2,5-8H2/t9-,10-/m1/s1.
What are the key properties of (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one?
(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 11074246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).