(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol

C15H20O4 — CID 11821489

IUPAC(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol
SMILESC=C1C(C)=C(O)C(C)=C2C(O)C[C@@]3(C)CCOC12O3
InChIInChI=1S/C15H20O4/c1-8-10(3)15-12(9(2)13(8)17)11(16)7-14(4,19-15)5-6-18-15/h11,16-17H,3,5-7H2,1-2,4H3/t11?,14-,15?/m1/s1
InChIKeyQYPYVSCFTUDWBI-XGTXGMFGSA-N
MW264.32 g/mol
LogP2.36
Rot. Bonds

About (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol

(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol (PubChem CID 11821489) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol.

Molecular Properties

Compound Name(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol
PubChem CID11821489
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol
SMILESC=C1C(C)=C(O)C(C)=C2C(O)C[C@@]3(C)CCOC12O3
InChIInChI=1S/C15H20O4/c1-8-10(3)15-12(9(2)13(8)17)11(16)7-14(4,19-15)5-6-18-15/h11,16-17H,3,5-7H2,1-2,4H3/t11?,14-,15?/m1/s1
InChIKeyQYPYVSCFTUDWBI-XGTXGMFGSA-N
XLogP2.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol 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

(3aR,5aR,8R)-3a,8-dihydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
CID 46911524
(1R,3S,4S,6S,8S)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-ol
CID 130991446
(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
CID 53474575
(4'aR,8'S)-8'-hydroxy-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 24858136
2-hydroxy-3,6,6,7b-tetramethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]inden-4-one
CID 162815677
(1'S,3'R,4R,6'S)-2,2,6'-trimethylspiro[1,3-dioxane-4,5'-7-oxabicyclo[4.1.0]heptane]-3'-ol
CID 11322138
2,3,4,4-tetramethylcyclohex-2-en-1-ol
CID 21015437
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
4-ethenyl-4-methyloxan-2-ol
CID 175501188
(1S)-2,4,4-trimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethenyl]cyclohex-2-en-1-ol
CID 90799403
(3aR,5aR,9bS)-3a-hydroxy-5a,9-dimethyl-3-methylidene-5,7,8,9b-tetrahydro-4H-benzo[g][1]benzofuran-2,6-dione
CID 44631963
(1R,2R,3R,7S,8S,10S)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-ene-2,7,10-triol
CID 135018782

Frequently Asked Questions

What is the IUPAC name of (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol?
The IUPAC name of (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol (CID 11821489) is (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol.
What is the SMILES notation for (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol?
The canonical SMILES for (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol is C=C1C(C)=C(O)C(C)=C2C(O)C[C@@]3(C)CCOC12O3.
What is the InChIKey of (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol?
The InChIKey is QYPYVSCFTUDWBI-XGTXGMFGSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-10(3)15-12(9(2)13(8)17)11(16)7-14(4,19-15)5-6-18-15/h11,16-17H,3,5-7H2,1-2,4H3/t11?,14-,15?/m1/s1.
What are the key properties of (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol?
(9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol has a molecular weight of 264.32 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3,5,9-trimethyl-2-methylidene-12,13-dioxatricyclo[7.3.1.01,6]trideca-3,5-diene-4,7-diol is sourced from PubChem (CID 11821489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).