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

C10H16O — CID 11768771

IUPAC4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
SMILESCC1=CCCC(C)(C)C12CO2
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h5H,4,6-7H2,1-3H3
InChIKeyWRHBBZJYOBNUII-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

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

4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene (PubChem CID 11768771) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene.

Molecular Properties

Compound Name4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
PubChem CID11768771
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene
SMILESCC1=CCCC(C)(C)C12CO2
InChIInChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h5H,4,6-7H2,1-3H3
InChIKeyWRHBBZJYOBNUII-UHFFFAOYSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
The IUPAC name of 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene (CID 11768771) is 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene.
What is the SMILES notation for 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
The canonical SMILES for 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene is CC1=CCCC(C)(C)C12CO2.
What is the InChIKey of 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
The InChIKey is WRHBBZJYOBNUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-5-4-6-9(2,3)10(8)7-11-10/h5H,4,6-7H2,1-3H3.
What are the key properties of 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene?
4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene has a molecular weight of 152.24 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8-trimethyl-1-oxaspiro[2.5]oct-7-ene is sourced from PubChem (CID 11768771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).