4-propan-2-yl-1-oxaspiro[2.5]octan-6-one

C10H16O2 — CID 88923476

IUPAC4-propan-2-yl-1-oxaspiro[2.5]octan-6-one
SMILESCC(C)C1CC(=O)CCC12CO2
InChIInChI=1S/C10H16O2/c1-7(2)9-5-8(11)3-4-10(9)6-12-10/h7,9H,3-6H2,1-2H3
InChIKeyRJRYQMLFKGXQQZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds1

About 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one

4-propan-2-yl-1-oxaspiro[2.5]octan-6-one (PubChem CID 88923476) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name4-propan-2-yl-1-oxaspiro[2.5]octan-6-one
PubChem CID88923476
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-propan-2-yl-1-oxaspiro[2.5]octan-6-one
SMILESCC(C)C1CC(=O)CCC12CO2
InChIInChI=1S/C10H16O2/c1-7(2)9-5-8(11)3-4-10(9)6-12-10/h7,9H,3-6H2,1-2H3
InChIKeyRJRYQMLFKGXQQZ-UHFFFAOYSA-N
XLogP1.78
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one?
The IUPAC name of 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one (CID 88923476) is 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one.
What is the SMILES notation for 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one?
The canonical SMILES for 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one is CC(C)C1CC(=O)CCC12CO2.
What is the InChIKey of 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one?
The InChIKey is RJRYQMLFKGXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(2)9-5-8(11)3-4-10(9)6-12-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one?
4-propan-2-yl-1-oxaspiro[2.5]octan-6-one has a molecular weight of 168.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-oxaspiro[2.5]octan-6-one is sourced from PubChem (CID 88923476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).