(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol

C15H20O4 — CID 11043646

IUPAC(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
SMILESCc1cc2c(cc1O)[C@@]1(C)[C@H](O)C[C@@](O)(O2)C1(C)C
InChIInChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyDHKFEYFQGRWJNR-VHDGCEQUSA-N
MW264.32 g/mol
LogP1.83
Rot. Bonds

About (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol

(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol (PubChem CID 11043646) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol.

Molecular Properties

Compound Name(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
PubChem CID11043646
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
SMILESCc1cc2c(cc1O)[C@@]1(C)[C@H](O)C[C@@](O)(O2)C1(C)C
InChIInChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3/t12-,14+,15-/m1/s1
InChIKeyDHKFEYFQGRWJNR-VHDGCEQUSA-N
XLogP1.83
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
The IUPAC name of (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol (CID 11043646) is (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol.
What is the SMILES notation for (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
The canonical SMILES for (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol is Cc1cc2c(cc1O)[C@@]1(C)[C@H](O)C[C@@](O)(O2)C1(C)C.
What is the InChIKey of (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
The InChIKey is DHKFEYFQGRWJNR-VHDGCEQUSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3/t12-,14+,15-/m1/s1.
What are the key properties of (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol?
(1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol has a molecular weight of 264.32 g/mol, XLogP of 1.83, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,11R)-1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol is sourced from PubChem (CID 11043646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).