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

C10H16O — CID 10931633

IUPAC5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene
SMILESCC1=CC2(CO2)CC(C)(C)C1
InChIInChI=1S/C10H16O/c1-8-4-9(2,3)6-10(5-8)7-11-10/h5H,4,6-7H2,1-3H3
InChIKeyMIKGPIXHNZKIJF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds

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

5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene (PubChem CID 10931633) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene.

Molecular Properties

Compound Name5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene
PubChem CID10931633
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene
SMILESCC1=CC2(CO2)CC(C)(C)C1
InChIInChI=1S/C10H16O/c1-8-4-9(2,3)6-10(5-8)7-11-10/h5H,4,6-7H2,1-3H3
InChIKeyMIKGPIXHNZKIJF-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 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene?
The IUPAC name of 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene (CID 10931633) is 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene.
What is the SMILES notation for 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene?
The canonical SMILES for 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene is CC1=CC2(CO2)CC(C)(C)C1.
What is the InChIKey of 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene?
The InChIKey is MIKGPIXHNZKIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8-4-9(2,3)6-10(5-8)7-11-10/h5H,4,6-7H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene?
5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-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 5,7,7-trimethyl-1-oxaspiro[2.5]oct-4-ene is sourced from PubChem (CID 10931633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).