(1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione

C19H18O4 — CID 11289864

IUPAC(1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione
SMILESC[C@]12CCCC[C@@]13O[C@@H](C2=O)C1(C=CC(=O)c2ccccc21)O3
InChIInChI=1S/C19H18O4/c1-17-9-4-5-10-19(17)22-16(15(17)21)18(23-19)11-8-14(20)12-6-2-3-7-13(12)18/h2-3,6-8,11,16H,4-5,9-10H2,1H3/t16-,17+,18?,19-/m0/s1
InChIKeyKTSCXAWBYNICGU-SWDXFRIISA-N
MW310.35 g/mol
LogP2.91
Rot. Bonds

About (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione

(1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione (PubChem CID 11289864) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione.

Molecular Properties

Compound Name(1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione
PubChem CID11289864
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name(1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione
SMILESC[C@]12CCCC[C@@]13O[C@@H](C2=O)C1(C=CC(=O)c2ccccc21)O3
InChIInChI=1S/C19H18O4/c1-17-9-4-5-10-19(17)22-16(15(17)21)18(23-19)11-8-14(20)12-6-2-3-7-13(12)18/h2-3,6-8,11,16H,4-5,9-10H2,1H3/t16-,17+,18?,19-/m0/s1
InChIKeyKTSCXAWBYNICGU-SWDXFRIISA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione with MolForge

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

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-[[(1R,2S,6S,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-3H-benzo[g][1]benzofuran-4,5-dione
CID 71525255
3-[[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy]-2,2-dimethyl-3H-benzo[g][1]benzofuran-4,5-dione
CID 155569589
(1S,9R,10R)-10-[(4-fluorophenyl)methoxymethyl]-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 11313933
(1S,9R,10S)-1-methoxy-10-(phenylmethoxymethyl)-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 11347954
benzyl (1'R,3'aR,9'aS)-5,5-dimethyl-1'-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-9'-oxospiro[1,3-dioxane-2,4'-3a,9a-dihydro-3H-benzo[f][2]benzofuran]-1'-carboxylate
CID 12166103
1-Methoxy-10,10-dimethyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13190784
(1S,9R,10R)-1-methoxy-10-phenyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13479088
(1S,9R,10R)-10-tert-butyl-1-methoxy-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 13479097
(1S,9S,10S)-9-butanoyl-10-butoxy-1-methoxy-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 23642773
(1S,9S,10S)-9-butanoyl-10-cyclohexyloxy-1-methoxy-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 101436868
(1S,9S,10S)-10-cyclohexyloxy-1-methoxy-9-(2-methylpropanoyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 101436869
(1S,9S,10S)-10-cyclohexyloxy-1-methoxy-9-pentanoyl-12-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
CID 101436870

Frequently Asked Questions

What is the IUPAC name of (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione?
The IUPAC name of (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione (CID 11289864) is (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione.
What is the SMILES notation for (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione?
The canonical SMILES for (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione is C[C@]12CCCC[C@@]13O[C@@H](C2=O)C1(C=CC(=O)c2ccccc21)O3.
What is the InChIKey of (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione?
The InChIKey is KTSCXAWBYNICGU-SWDXFRIISA-N. The full InChI is InChI=1S/C19H18O4/c1-17-9-4-5-10-19(17)22-16(15(17)21)18(23-19)11-8-14(20)12-6-2-3-7-13(12)18/h2-3,6-8,11,16H,4-5,9-10H2,1H3/t16-,17+,18?,19-/m0/s1.
What are the key properties of (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione?
(1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione has a molecular weight of 310.35 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8R)-6-methylspiro[10,11-dioxatricyclo[6.2.1.01,6]undecane-9,4'-naphthalene]-1',7-dione is sourced from PubChem (CID 11289864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).