(5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione

C11H14O3 — CID 10856355

IUPAC(5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione
SMILESC=C1C(=O)C[C@]2(CCOC2=O)C1(C)C
InChIInChI=1S/C11H14O3/c1-7-8(12)6-11(10(7,2)3)4-5-14-9(11)13/h1,4-6H2,2-3H3/t11-/m0/s1
InChIKeyGYBREZITTQVYMM-NSHDSACASA-N
MW194.23 g/mol
LogP1.47
Rot. Bonds

About (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione

(5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione (PubChem CID 10856355) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione.

Molecular Properties

Compound Name(5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione
PubChem CID10856355
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione
SMILESC=C1C(=O)C[C@]2(CCOC2=O)C1(C)C
InChIInChI=1S/C11H14O3/c1-7-8(12)6-11(10(7,2)3)4-5-14-9(11)13/h1,4-6H2,2-3H3/t11-/m0/s1
InChIKeyGYBREZITTQVYMM-NSHDSACASA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione with MolForge

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Launch Full Analysis

Related Compounds

Bicyclo[3.3.0]octan-3-one, 7-methylene-1,5-bis(carboxyethyl)-, tans--
CID 533804
Bicyclo[3.3.0]octane-3,6-dione, 1-(ethoxycarbonylmethyl)-2-methylene-
CID 591061
Ethyl 2-(1-methyl-2-methylidene-3-oxocyclopentyl)acetate
CID 11106268
3-(4-Methyl-3-oxopent-4-enyl)oxolan-2-one
CID 89984263
Ethyl 4-oxo-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 123254198
(5S)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonan-1-one
CID 10866939
(5R,8S)-8-but-3-enyl-9,9-dimethyl-2-oxaspiro[4.4]nonane-1,7-dione
CID 11020879
(3aS,9aS)-3,3a,4,5,8,9-hexahydrocyclopenta[h][2]benzofuran-1,7-dione
CID 11446837
(1R,3aR,6aR)-1-ethyl-6-methylidene-1,3a,4,6a-tetrahydrocyclopenta[c]furan-3,5-dione
CID 101016804

Frequently Asked Questions

What is the IUPAC name of (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione?
The IUPAC name of (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione (CID 10856355) is (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione.
What is the SMILES notation for (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione?
The canonical SMILES for (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione is C=C1C(=O)C[C@]2(CCOC2=O)C1(C)C.
What is the InChIKey of (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione?
The InChIKey is GYBREZITTQVYMM-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O3/c1-7-8(12)6-11(10(7,2)3)4-5-14-9(11)13/h1,4-6H2,2-3H3/t11-/m0/s1.
What are the key properties of (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione?
(5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione has a molecular weight of 194.23 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9,9-dimethyl-8-methylidene-2-oxaspiro[4.4]nonane-1,7-dione is sourced from PubChem (CID 10856355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).