(6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol

C16H22O2 — CID 155805887

IUPAC(6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)Oc1cc(O)ccc1C2(C)C
InChIInChI=1S/C16H22O2/c1-10-4-6-12-14(8-10)18-15-9-11(17)5-7-13(15)16(12,2)3/h5,7,9-10,12,14,17H,4,6,8H2,1-3H3/t10-,12-,14-/m1/s1
InChIKeyZGENTKDVAFBWKO-MPKXVKKWSA-N
MW246.35 g/mol
LogP3.87
Rot. Bonds

About (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol

(6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol (PubChem CID 155805887) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol.

Molecular Properties

Compound Name(6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol
PubChem CID155805887
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)Oc1cc(O)ccc1C2(C)C
InChIInChI=1S/C16H22O2/c1-10-4-6-12-14(8-10)18-15-9-11(17)5-7-13(15)16(12,2)3/h5,7,9-10,12,14,17H,4,6,8H2,1-3H3/t10-,12-,14-/m1/s1
InChIKeyZGENTKDVAFBWKO-MPKXVKKWSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol?
The IUPAC name of (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol (CID 155805887) is (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol.
What is the SMILES notation for (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol?
The canonical SMILES for (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol is C[C@@H]1CC[C@@H]2[C@@H](C1)Oc1cc(O)ccc1C2(C)C.
What is the InChIKey of (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol?
The InChIKey is ZGENTKDVAFBWKO-MPKXVKKWSA-N. The full InChI is InChI=1S/C16H22O2/c1-10-4-6-12-14(8-10)18-15-9-11(17)5-7-13(15)16(12,2)3/h5,7,9-10,12,14,17H,4,6,8H2,1-3H3/t10-,12-,14-/m1/s1.
What are the key properties of (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol?
(6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol has a molecular weight of 246.35 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS,10aR)-6,9,9-trimethyl-5,6,7,8,8a,10a-hexahydroxanthen-3-ol is sourced from PubChem (CID 155805887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).