(1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione

C15H20O4 — CID 146683194

IUPAC(1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione
SMILESCC1=C(O)C(=O)[C@]2(C(=O)C1=O)[C@H](C)CC[C@@H]2C(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/t8-,10-,15+/m1/s1
InChIKeyBQYFYCLMDKBLPO-FFIJEWMLSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds1

About (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione

(1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione (PubChem CID 146683194) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione.

Molecular Properties

Compound Name(1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione
PubChem CID146683194
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione
SMILESCC1=C(O)C(=O)[C@]2(C(=O)C1=O)[C@H](C)CC[C@@H]2C(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/t8-,10-,15+/m1/s1
InChIKeyBQYFYCLMDKBLPO-FFIJEWMLSA-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'}

Analyze (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
The IUPAC name of (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione (CID 146683194) is (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione.
What is the SMILES notation for (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
The canonical SMILES for (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione is CC1=C(O)C(=O)[C@]2(C(=O)C1=O)[C@H](C)CC[C@@H]2C(C)C.
What is the InChIKey of (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
The InChIKey is BQYFYCLMDKBLPO-FFIJEWMLSA-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/t8-,10-,15+/m1/s1.
What are the key properties of (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione?
(1R,4R,5S)-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 (1R,4R,5S)-7-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-6,9,10-trione is sourced from PubChem (CID 146683194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).