(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one

C14H22O2 — CID 10262981

IUPAC(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
SMILESC=C[C@@]1(C)CC[C@]2(O1)C(=O)CC[C@H](C)[C@H]2C
InChIInChI=1S/C14H22O2/c1-5-13(4)8-9-14(16-13)11(3)10(2)6-7-12(14)15/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13-,14+/m0/s1
InChIKeySPFIUSCRPLRIOD-UZGDPCLZSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds1

About (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one

(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one (PubChem CID 10262981) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
PubChem CID10262981
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one
SMILESC=C[C@@]1(C)CC[C@]2(O1)C(=O)CC[C@H](C)[C@H]2C
InChIInChI=1S/C14H22O2/c1-5-13(4)8-9-14(16-13)11(3)10(2)6-7-12(14)15/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13-,14+/m0/s1
InChIKeySPFIUSCRPLRIOD-UZGDPCLZSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(3S,4aS,6aR,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
CID 100918282
cis-(3S,4R)-2-hydroxy-2,3,4-trimethylcyclohexan-1-one
CID 10920759
trans-(2R,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338732
cis-(2S,3S)-2,3-bis(ethenyl)-2-methylcyclopentan-1-one
CID 86338731
2-ethenyl-2-hydroxy-3-methylcyclopentan-1-one
CID 130028580
(2R,4aS)-2,4a-dimethyl-2,3,4,6,7,7a-hexahydrocyclopenta[b]pyran-5-one
CID 143295231
5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one
CID 14062851
2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 12870171
(3R,4aS,6aS,10aR,10bR)-3-ethenyl-3-(hydroxymethyl)-4a,7,7,10a-tetramethyl-1,2,5,6,6a,9,10,10b-octahydrobenzo[f]chromen-8-one
CID 162877431
(3S,7S,7aR)-3-ethenyl-7,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 11679968
3-ethenyl-3,4a,7,7,10a-pentamethyl-2,6,6a,10b-tetrahydro-1H-benzo[f]chromene-5,8-dione
CID 75250968
(3R,4aR,7aS)-3-ethenyl-7a-hydroxy-3,4a-dimethyl-6,7-dihydro-4H-cyclopenta[c][1,2]dioxin-5-one
CID 135069048

Frequently Asked Questions

What is the IUPAC name of (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one?
The IUPAC name of (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one (CID 10262981) is (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one.
What is the SMILES notation for (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one?
The canonical SMILES for (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one is C=C[C@@]1(C)CC[C@]2(O1)C(=O)CC[C@H](C)[C@H]2C.
What is the InChIKey of (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one?
The InChIKey is SPFIUSCRPLRIOD-UZGDPCLZSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-13(4)8-9-14(16-13)11(3)10(2)6-7-12(14)15/h5,10-11H,1,6-9H2,2-4H3/t10-,11+,13-,14+/m0/s1.
What are the key properties of (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one?
(2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one has a molecular weight of 222.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,9S,10R)-2-ethenyl-2,9,10-trimethyl-1-oxaspiro[4.5]decan-6-one is sourced from PubChem (CID 10262981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).