7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione

C15H20O4 — CID 163121433

IUPAC7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione
SMILESCC1=C(O)C(=O)C2(C(=O)C1=O)C(C)CCC2C(C)C
InChIInChI=1S/C15H20O4/c1-7(2)10-6-5-8(3)15(10)13(18)11(16)9(4)12(17)14(15)19/h7-8,10,16H,5-6H2,1-4H3
InChIKeyBQYFYCLMDKBLPO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds1

About 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione

7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione (PubChem CID 163121433) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione.

Molecular Properties

Compound Name7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione
PubChem CID163121433
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione
SMILESCC1=C(O)C(=O)C2(C(=O)C1=O)C(C)CCC2C(C)C
InChIInChI=1S/C15H20O4/c1-7(2)10-6-5-8(3)15(10)13(18)11(16)9(4)12(17)14(15)19/h7-8,10,16H,5-6H2,1-4H3
InChIKeyBQYFYCLMDKBLPO-UHFFFAOYSA-N
XLogP2.23
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
The IUPAC name of 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione (CID 163121433) is 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione.
What is the SMILES notation for 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
The canonical SMILES for 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione is CC1=C(O)C(=O)C2(C(=O)C1=O)C(C)CCC2C(C)C.
What is the InChIKey of 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
The InChIKey is BQYFYCLMDKBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-7(2)10-6-5-8(3)15(10)13(18)11(16)9(4)12(17)14(15)19/h7-8,10,16H,5-6H2,1-4H3.
What are the key properties of 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione has a molecular weight of 264.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione is sourced from PubChem (CID 163121433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).