(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol

C10H16O3 — CID 130731382

IUPAC(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol
SMILESOC1CC2C(C1)[C@H]1C[C@@H]2C(O)C1O
InChIInChI=1S/C10H16O3/c11-4-1-5-6(2-4)8-3-7(5)9(12)10(8)13/h4-13H,1-3H2/t4?,5?,6?,7-,8+,9?,10?
InChIKeyRTZDJECEXOGNNW-VKDUKJOFSA-N
MW184.23 g/mol
LogP-0.25
Rot. Bonds

About (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol

(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol (PubChem CID 130731382) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol.

Molecular Properties

Compound Name(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol
PubChem CID130731382
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol
SMILESOC1CC2C(C1)[C@H]1C[C@@H]2C(O)C1O
InChIInChI=1S/C10H16O3/c11-4-1-5-6(2-4)8-3-7(5)9(12)10(8)13/h4-13H,1-3H2/t4?,5?,6?,7-,8+,9?,10?
InChIKeyRTZDJECEXOGNNW-VKDUKJOFSA-N
XLogP-0.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol 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 (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol?
The IUPAC name of (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol (CID 130731382) is (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol.
What is the SMILES notation for (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol?
The canonical SMILES for (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol is OC1CC2C(C1)[C@H]1C[C@@H]2C(O)C1O.
What is the InChIKey of (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol?
The InChIKey is RTZDJECEXOGNNW-VKDUKJOFSA-N. The full InChI is InChI=1S/C10H16O3/c11-4-1-5-6(2-4)8-3-7(5)9(12)10(8)13/h4-13H,1-3H2/t4?,5?,6?,7-,8+,9?,10?.
What are the key properties of (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol?
(1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol has a molecular weight of 184.23 g/mol, XLogP of -0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-tricyclo[5.2.1.02,6]decane-4,8,9-triol is sourced from PubChem (CID 130731382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).