8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one

C11H14O2 — CID 15343951

IUPAC8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=CC=C(C(C)C)C(=O)C12CO2
InChIInChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)11(6-13-11)10(9)12/h4-5,7H,6H2,1-3H3
InChIKeyQKYLGMZNJTXAAD-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.87
Rot. Bonds1

About 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one

8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one (PubChem CID 15343951) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one.

Molecular Properties

Compound Name8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
PubChem CID15343951
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
SMILESCC1=CC=C(C(C)C)C(=O)C12CO2
InChIInChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)11(6-13-11)10(9)12/h4-5,7H,6H2,1-3H3
InChIKeyQKYLGMZNJTXAAD-UHFFFAOYSA-N
XLogP1.87
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.87
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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Launch Full Analysis

Related Compounds

Periplanone A
CID 72941651
5,7-Ditert-butyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674226
5-Tert-butyl-7-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 12674227
6,8-Dimethyl-5-prop-2-enyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 16112349
5,6,7,8-Tetramethyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 134892402
(2S*,3R*)-5,7-di-tert-butyl-2-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 145722642
(3S,6S,7E,11Z)-9-methylidene-6-propan-2-yl-1-oxaspiro[2.9]dodeca-7,11-dien-4-one
CID 10922403
(3R)-5-cyclohexyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104833
(3R)-8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104840
(3R)-5-tert-butyl-7-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104841
(3R)-5-tert-butyl-8-methyl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 60104843
ethane;(3R)-7-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one
CID 142133780

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The IUPAC name of 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one (CID 15343951) is 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one.
What is the SMILES notation for 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The canonical SMILES for 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one is CC1=CC=C(C(C)C)C(=O)C12CO2.
What is the InChIKey of 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
The InChIKey is QKYLGMZNJTXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-7(2)9-5-4-8(3)11(6-13-11)10(9)12/h4-5,7H,6H2,1-3H3.
What are the key properties of 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one?
8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-propan-2-yl-1-oxaspiro[2.5]octa-5,7-dien-4-one is sourced from PubChem (CID 15343951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).