6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene

C10H16O — CID 14758575

IUPAC6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene
SMILESCC(C)C1C=CC2(CC1)CO2
InChIInChI=1S/C10H16O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyLOYQVLUNFXGKGF-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.38
Rot. Bonds1

About 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene

6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene (PubChem CID 14758575) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene.

Molecular Properties

Compound Name6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene
PubChem CID14758575
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene
SMILESCC(C)C1C=CC2(CC1)CO2
InChIInChI=1S/C10H16O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyLOYQVLUNFXGKGF-UHFFFAOYSA-N
XLogP2.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.38
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 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene?
The IUPAC name of 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene (CID 14758575) is 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene.
What is the SMILES notation for 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene?
The canonical SMILES for 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene is CC(C)C1C=CC2(CC1)CO2.
What is the InChIKey of 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene?
The InChIKey is LOYQVLUNFXGKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9-3-5-10(6-4-9)7-11-10/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene?
6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene has a molecular weight of 152.24 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-oxaspiro[2.5]oct-4-ene is sourced from PubChem (CID 14758575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).