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

C14H20O2 — CID 10987794

IUPAC(6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C[C@@H]1CC[C@@H](C=C)C12CC(C)(C)C(=O)O2
InChIInChI=1S/C14H20O2/c1-5-10-7-8-11(6-2)14(10)9-13(3,4)12(15)16-14/h5-6,10-11H,1-2,7-9H2,3-4H3/t10-,11-/m1/s1
InChIKeyROXRCHDIGGCNMQ-GHMZBOCLSA-N
MW220.31 g/mol
LogP3.10
Rot. Bonds2

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

(6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one (PubChem CID 10987794) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one
PubChem CID10987794
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one
SMILESC=C[C@@H]1CC[C@@H](C=C)C12CC(C)(C)C(=O)O2
InChIInChI=1S/C14H20O2/c1-5-10-7-8-11(6-2)14(10)9-13(3,4)12(15)16-14/h5-6,10-11H,1-2,7-9H2,3-4H3/t10-,11-/m1/s1
InChIKeyROXRCHDIGGCNMQ-GHMZBOCLSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

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
(6S,9S)-6,9-bis(ethenyl)-1-oxaspiro[4.4]nonan-2-one
CID 11074246
methyl (6S,9S)-6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 11322659
(3aR,4R,6aS)-5,5-dimethyl-4-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 14482484
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
Methyl 6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 72801077
(1R,2R,3S,6S,8S,9R)-6,8-bis(ethenyl)-2,3-diethyl-5-oxatricyclo[4.2.1.03,9]nonan-4-one
CID 134955376
(3S,6R)-2-ethenyl-3,6,8-triethyl-5-oxatricyclo[4.2.1.03,9]nonan-4-one
CID 134969412

Frequently Asked Questions

What is the IUPAC name of (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one?
The IUPAC name of (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one (CID 10987794) is (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one.
What is the SMILES notation for (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one?
The canonical SMILES for (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one is C=C[C@@H]1CC[C@@H](C=C)C12CC(C)(C)C(=O)O2.
What is the InChIKey of (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one?
The InChIKey is ROXRCHDIGGCNMQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-10-7-8-11(6-2)14(10)9-13(3,4)12(15)16-14/h5-6,10-11H,1-2,7-9H2,3-4H3/t10-,11-/m1/s1.
What are the key properties of (6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one?
(6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.10, 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)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 10987794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).