(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione

C15H18O4 — CID 974943

IUPAC(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione
SMILESCC1(C)C(=O)C2(CCCC2)C(=O)O[C@H]1c1ccco1
InChIInChI=1S/C15H18O4/c1-14(2)11(10-6-5-9-18-10)19-13(17)15(12(14)16)7-3-4-8-15/h5-6,9,11H,3-4,7-8H2,1-2H3/t11-/m0/s1
InChIKeyTYENMNXJLRIOAZ-NSHDSACASA-N
MW262.30 g/mol
LogP3.03
Rot. Bonds1

About (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione

(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione (PubChem CID 974943) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione.

Molecular Properties

Compound Name(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione
PubChem CID974943
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione
SMILESCC1(C)C(=O)C2(CCCC2)C(=O)O[C@H]1c1ccco1
InChIInChI=1S/C15H18O4/c1-14(2)11(10-6-5-9-18-10)19-13(17)15(12(14)16)7-3-4-8-15/h5-6,9,11H,3-4,7-8H2,1-2H3/t11-/m0/s1
InChIKeyTYENMNXJLRIOAZ-NSHDSACASA-N
XLogP3.03
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione?
The IUPAC name of (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione (CID 974943) is (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione.
What is the SMILES notation for (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione?
The canonical SMILES for (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione is CC1(C)C(=O)C2(CCCC2)C(=O)O[C@H]1c1ccco1.
What is the InChIKey of (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione?
The InChIKey is TYENMNXJLRIOAZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18O4/c1-14(2)11(10-6-5-9-18-10)19-13(17)15(12(14)16)7-3-4-8-15/h5-6,9,11H,3-4,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione?
(8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione has a molecular weight of 262.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(furan-2-yl)-9,9-dimethyl-7-oxaspiro[4.5]decane-6,10-dione is sourced from PubChem (CID 974943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).