4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene

C11H18O — CID 19896076

IUPAC4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
SMILESCC1=CCC(C)C(C)(C)C12CO2
InChIInChI=1S/C11H18O/c1-8-5-6-9(2)11(7-12-11)10(8,3)4/h6,8H,5,7H2,1-4H3
InChIKeyPBRQYFCLDBALHW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds

About 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene

4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene (PubChem CID 19896076) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene.

Molecular Properties

Compound Name4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
PubChem CID19896076
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
SMILESCC1=CCC(C)C(C)(C)C12CO2
InChIInChI=1S/C11H18O/c1-8-5-6-9(2)11(7-12-11)10(8,3)4/h6,8H,5,7H2,1-4H3
InChIKeyPBRQYFCLDBALHW-UHFFFAOYSA-N
XLogP2.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 3,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990786
2H-Pyran, 5,6-dihydro-4-methyl-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990785
Methyl piperitol
CID 12284330
(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene
CID 24848739
3-Methoxy-1,5,5-trimethylcyclohexene
CID 12233157
8,8-Dimethyl-4-methylene-1-oxaspiro[2.5]oct-5-ene
CID 585001
4,8,8-Trimethyl-1-oxaspiro[2.5]oct-4-ene
CID 11768771
(3R,5S)-4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
CID 57201556
2-{6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl}oxirane
CID 130002937
6-Propan-2-yl-1-oxaspiro[2.5]oct-4-ene
CID 14758575
(3R)-4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
CID 642953
5,7,7-Trimethyl-1-oxaspiro[2.5]oct-4-ene
CID 10931633

Frequently Asked Questions

What is the IUPAC name of 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene?
The IUPAC name of 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene (CID 19896076) is 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene.
What is the SMILES notation for 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene?
The canonical SMILES for 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene is CC1=CCC(C)C(C)(C)C12CO2.
What is the InChIKey of 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene?
The InChIKey is PBRQYFCLDBALHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-5-6-9(2)11(7-12-11)10(8,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene?
4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene has a molecular weight of 166.26 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene is sourced from PubChem (CID 19896076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).