(5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione

C15H20O3 — CID 162970918

IUPAC(5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione
SMILESCC1=C(O)C2=C(C(=O)C1=O)[C@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H20O3/c1-7(2)10-6-5-8(3)11-12(10)13(16)9(4)14(17)15(11)18/h7-8,10,16H,5-6H2,1-4H3/t8-,10-/m1/s1
InChIKeyCCLVDKKYLMUFFL-PSASIEDQSA-N
MW248.32 g/mol
LogP2.97
Rot. Bonds1

About (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione

(5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione (PubChem CID 162970918) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione.

Molecular Properties

Compound Name(5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione
PubChem CID162970918
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione
SMILESCC1=C(O)C2=C(C(=O)C1=O)[C@H](C)CC[C@@H]2C(C)C
InChIInChI=1S/C15H20O3/c1-7(2)10-6-5-8(3)11-12(10)13(16)9(4)14(17)15(11)18/h7-8,10,16H,5-6H2,1-4H3/t8-,10-/m1/s1
InChIKeyCCLVDKKYLMUFFL-PSASIEDQSA-N
XLogP2.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione 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 (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione?
The IUPAC name of (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione (CID 162970918) is (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione.
What is the SMILES notation for (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione?
The canonical SMILES for (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione is CC1=C(O)C2=C(C(=O)C1=O)[C@H](C)CC[C@@H]2C(C)C.
What is the InChIKey of (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione?
The InChIKey is CCLVDKKYLMUFFL-PSASIEDQSA-N. The full InChI is InChI=1S/C15H20O3/c1-7(2)10-6-5-8(3)11-12(10)13(16)9(4)14(17)15(11)18/h7-8,10,16H,5-6H2,1-4H3/t8-,10-/m1/s1.
What are the key properties of (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione?
(5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione has a molecular weight of 248.32 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-4-hydroxy-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalene-1,2-dione is sourced from PubChem (CID 162970918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).