4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene

C11H16O — CID 11744978

IUPAC4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene
SMILESCC1=CC=CC(C)(C)CC12CO2
InChIInChI=1S/C11H16O/c1-9-5-4-6-10(2,3)7-11(9)8-12-11/h4-6H,7-8H2,1-3H3
InChIKeyPAOYNRLNQHEFPZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds

About 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene

4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene (PubChem CID 11744978) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene.

Molecular Properties

Compound Name4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene
PubChem CID11744978
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene
SMILESCC1=CC=CC(C)(C)CC12CO2
InChIInChI=1S/C11H16O/c1-9-5-4-6-10(2,3)7-11(9)8-12-11/h4-6H,7-8H2,1-3H3
InChIKeyPAOYNRLNQHEFPZ-UHFFFAOYSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5,6-Epoxy-5,6-dihydrolycopene
CID 131751673
5,6-Epoxy-5,6-dihydro-psi,psi-carotene
CID 85306896
Lycopene 5,6-epoxide
CID 15834788
1,2-Epoxyphenylpropane
CID 129667611
8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene
CID 585001
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]oxirane
CID 10856657
4,8,8-Trimethyl-1-oxaspiro[2.5]oct-4-ene
CID 11768771
3-Ethenyl-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 13719995
(2R,3S)-3-ethenyl-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 13719996
(2R,3S)-3-[(Z)-but-1-enyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 53350122
(2S,3S)-3-[(Z)-but-1-enyl]-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 101791560
(2S)-3-ethenyl-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 137309319

Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene?
The IUPAC name of 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene (CID 11744978) is 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene.
What is the SMILES notation for 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene?
The canonical SMILES for 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene is CC1=CC=CC(C)(C)CC12CO2.
What is the InChIKey of 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene?
The InChIKey is PAOYNRLNQHEFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-4-6-10(2,3)7-11(9)8-12-11/h4-6H,7-8H2,1-3H3.
What are the key properties of 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene?
4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene has a molecular weight of 164.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethyl-1-oxaspiro[2.6]nona-4,6-diene is sourced from PubChem (CID 11744978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).