(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione

C15H18O4 — CID 10912308

IUPAC(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione
SMILESCC1=CC2=C(C(=O)C1=O)[C@H](C)CC(=O)[C@@]2(O)C(C)C
InChIInChI=1S/C15H18O4/c1-7(2)15(19)10-5-9(4)13(17)14(18)12(10)8(3)6-11(15)16/h5,7-8,19H,6H2,1-4H3/t8-,15-/m1/s1
InChIKeyDUXDMFCFEMJGKL-ANRSDYALSA-N
MW262.30 g/mol
LogP1.38
Rot. Bonds1

About (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione

(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione (PubChem CID 10912308) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione.

Molecular Properties

Compound Name(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione
PubChem CID10912308
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione
SMILESCC1=CC2=C(C(=O)C1=O)[C@H](C)CC(=O)[C@@]2(O)C(C)C
InChIInChI=1S/C15H18O4/c1-7(2)15(19)10-5-9(4)13(17)14(18)12(10)8(3)6-11(15)16/h5,7-8,19H,6H2,1-4H3/t8-,15-/m1/s1
InChIKeyDUXDMFCFEMJGKL-ANRSDYALSA-N
XLogP1.38
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

5-Hydroxy-5-isopropyl-3,8-dimethyl-7,8-dihydronaphthalene-1,2,6-trione
CID 5275546
Chermesinone A
CID 53355009
(7R,8R)-7-hydroxy-7-methyl-8-(2-oxoheptyl)-3-[(E)-prop-1-enyl]-8H-isochromen-6-one
CID 162946405
Monascusazaphilone B
CID 139588625
(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one
CID 162871303
5-[(1R,8aR)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-2-methylpent-1-en-3-one
CID 163003849
(6R,7R)-7-hydroxy-7-methyl-6-(2-oxononyl)-3-[(E)-prop-1-enyl]-6H-isochromen-8-one
CID 163048861
(5S)-5-hydroxy-6,6,11-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-1(13),2,9(14),11-tetraen-4-one
CID 163093447
5-[(1R,8aS)-7,8,8a-trihydroxy-2-methyl-6-propan-2-yl-1H-naphthalen-1-yl]-2-methylpent-1-en-3-one
CID 163188266
(6S,7R)-7-hydroxy-7-methyl-6-(2-oxoheptyl)-3-[(E)-prop-1-enyl]-6H-isochromen-8-one
CID 163193292
Cmnpd11416
CID 5472716
(3R,4aS,5R)-3-hydroxy-3,8-dimethyl-5-prop-1-en-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
CID 90980947

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione?
The IUPAC name of (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione (CID 10912308) is (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione.
What is the SMILES notation for (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione?
The canonical SMILES for (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione is CC1=CC2=C(C(=O)C1=O)[C@H](C)CC(=O)[C@@]2(O)C(C)C.
What is the InChIKey of (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione?
The InChIKey is DUXDMFCFEMJGKL-ANRSDYALSA-N. The full InChI is InChI=1S/C15H18O4/c1-7(2)15(19)10-5-9(4)13(17)14(18)12(10)8(3)6-11(15)16/h5,7-8,19H,6H2,1-4H3/t8-,15-/m1/s1.
What are the key properties of (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione?
(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione has a molecular weight of 262.30 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione is sourced from PubChem (CID 10912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).