(1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol

C15H20O3 — CID 57327791

IUPAC(1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol
SMILESCc1cc2c(cc1O)[C@@]1(C)C[C@@H](O2)[C@@H](O)C1(C)C
InChIInChI=1S/C15H20O3/c1-8-5-11-9(6-10(8)16)15(4)7-12(18-11)13(17)14(15,2)3/h5-6,12-13,16-17H,7H2,1-4H3/t12-,13-,15-/m1/s1
InChIKeyIIZJJEQOUQCDCO-UMVBOHGHSA-N
MW248.32 g/mol
LogP2.51
Rot. Bonds

About (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol

(1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol (PubChem CID 57327791) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol.

Molecular Properties

Compound Name(1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol
PubChem CID57327791
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol
SMILESCc1cc2c(cc1O)[C@@]1(C)C[C@@H](O2)[C@@H](O)C1(C)C
InChIInChI=1S/C15H20O3/c1-8-5-11-9(6-10(8)16)15(4)7-12(18-11)13(17)14(15,2)3/h5-6,12-13,16-17H,7H2,1-4H3/t12-,13-,15-/m1/s1
InChIKeyIIZJJEQOUQCDCO-UMVBOHGHSA-N
XLogP2.51
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-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

Enokipodin C
CID 11043646
Heliannuol D
CID 11425230
Enokipodin A
CID 10800580
Heliannuol C
CID 131751670
6-t-Butyl-5-hydroxy-2,3-dihydrobenzofuran
CID 14143240
1,5,12,12-Tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9-diol
CID 21578749
2,2-Dimethylchroman-3,6 diol
CID 10535808
1,5,12,12-Tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
CID 72756155
(2R,4R)-4-Ethenyl-3,4-dihydro-6-hydroxy-alpha,alpha,7-trimethyl-2H-1-benzopyran-2-methanol
CID 10705699
(+)-Heliannuol D
CID 11436638
Acremine R
CID 72191331
(3R,5S)-5-ethenyl-2,2,8-trimethyl-4,5-dihydro-3H-1-benzoxepine-3,7-diol
CID 134835574

Frequently Asked Questions

What is the IUPAC name of (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol?
The IUPAC name of (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol (CID 57327791) is (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol.
What is the SMILES notation for (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol?
The canonical SMILES for (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol is Cc1cc2c(cc1O)[C@@]1(C)C[C@@H](O2)[C@@H](O)C1(C)C.
What is the InChIKey of (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol?
The InChIKey is IIZJJEQOUQCDCO-UMVBOHGHSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-5-11-9(6-10(8)16)15(4)7-12(18-11)13(17)14(15,2)3/h5-6,12-13,16-17H,7H2,1-4H3/t12-,13-,15-/m1/s1.
What are the key properties of (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol?
(1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol has a molecular weight of 248.32 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10S)-1,5,11,11-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,10-diol is sourced from PubChem (CID 57327791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).