2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one

C13H18O2 — CID 162937861

IUPAC2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one
SMILESCC1=CC(=O)CC(C)(C)C12C=CC(C)O2
InChIInChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5-7,10H,8H2,1-4H3
InChIKeyAYFBPOLMXLMEPR-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.65
Rot. Bonds

About 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one

2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one (PubChem CID 162937861) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one.

Molecular Properties

Compound Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one
PubChem CID162937861
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one
SMILESCC1=CC(=O)CC(C)(C)C12C=CC(C)O2
InChIInChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5-7,10H,8H2,1-4H3
InChIKeyAYFBPOLMXLMEPR-UHFFFAOYSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.65
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

Vomifoliol, (+)-
CID 5280462
Theaspirone A
CID 5321925
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CID 5280654
2,6,10,10-Tetramethyl-1-oxaspiro(4,5)deca-2,6-dien-8-one
CID 44147198
3,4-Dehydrotheaspirone
CID 10262398
(6S,9S)-vomifoliol
CID 10537120
(6S)-vomifoliol
CID 12444927
8,9-Dehydrotheaspirone
CID 11745805
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one, (4R,3R)-(E)-(+/-)-
CID 11229837
4-Hydroxy-4-(3-hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 440244
(6R,9S)-vomifoliol
CID 11816951
(-)-Theaspirone
CID 12443396

Frequently Asked Questions

What is the IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one?
The IUPAC name of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one (CID 162937861) is 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one.
What is the SMILES notation for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one?
The canonical SMILES for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one is CC1=CC(=O)CC(C)(C)C12C=CC(C)O2.
What is the InChIKey of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one?
The InChIKey is AYFBPOLMXLMEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h5-7,10H,8H2,1-4H3.
What are the key properties of 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one?
2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one has a molecular weight of 206.28 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6,10-tetramethyl-1-oxaspiro[4.5]deca-3,9-dien-8-one is sourced from PubChem (CID 162937861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).