6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione

C14H20O4 — CID 59350028

IUPAC6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione
SMILESCC1=C(C)C(=O)C2(CCC(C)(C)O2)C(C)(O)C1=O
InChIInChI=1S/C14H20O4/c1-8-9(2)11(16)14(13(5,17)10(8)15)7-6-12(3,4)18-14/h17H,6-7H2,1-5H3
InChIKeyPOKKNDNBSRCDLO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.55
Rot. Bonds

About 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione

6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione (PubChem CID 59350028) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione.

Molecular Properties

Compound Name6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione
PubChem CID59350028
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione
SMILESCC1=C(C)C(=O)C2(CCC(C)(C)O2)C(C)(O)C1=O
InChIInChI=1S/C14H20O4/c1-8-9(2)11(16)14(13(5,17)10(8)15)7-6-12(3,4)18-14/h17H,6-7H2,1-5H3
InChIKeyPOKKNDNBSRCDLO-UHFFFAOYSA-N
XLogP1.55
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione?
The IUPAC name of 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione (CID 59350028) is 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione.
What is the SMILES notation for 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione?
The canonical SMILES for 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione is CC1=C(C)C(=O)C2(CCC(C)(C)O2)C(C)(O)C1=O.
What is the InChIKey of 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione?
The InChIKey is POKKNDNBSRCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-8-9(2)11(16)14(13(5,17)10(8)15)7-6-12(3,4)18-14/h17H,6-7H2,1-5H3.
What are the key properties of 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione?
6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione has a molecular weight of 252.31 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2,6,8,9-pentamethyl-1-oxaspiro[4.5]dec-8-ene-7,10-dione is sourced from PubChem (CID 59350028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).