tricyclo[5.2.1.02,6]decane-1,2,3-triol

C10H16O3 — CID 141365619

IUPACtricyclo[5.2.1.02,6]decane-1,2,3-triol
SMILESOC1CCC2C3CCC(O)(C3)C12O
InChIInChI=1S/C10H16O3/c11-8-2-1-7-6-3-4-9(12,5-6)10(7,8)13/h6-8,11-13H,1-5H2
InChIKeyCTYYNPXJFIKYDA-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.03
Rot. Bonds

About tricyclo[5.2.1.02,6]decane-1,2,3-triol

tricyclo[5.2.1.02,6]decane-1,2,3-triol (PubChem CID 141365619) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is tricyclo[5.2.1.02,6]decane-1,2,3-triol.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]decane-1,2,3-triol
PubChem CID141365619
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nametricyclo[5.2.1.02,6]decane-1,2,3-triol
SMILESOC1CCC2C3CCC(O)(C3)C12O
InChIInChI=1S/C10H16O3/c11-8-2-1-7-6-3-4-9(12,5-6)10(7,8)13/h6-8,11-13H,1-5H2
InChIKeyCTYYNPXJFIKYDA-UHFFFAOYSA-N
XLogP0.03
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 ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]decane-1,2,3-triol?
The IUPAC name of tricyclo[5.2.1.02,6]decane-1,2,3-triol (CID 141365619) is tricyclo[5.2.1.02,6]decane-1,2,3-triol.
What is the SMILES notation for tricyclo[5.2.1.02,6]decane-1,2,3-triol?
The canonical SMILES for tricyclo[5.2.1.02,6]decane-1,2,3-triol is OC1CCC2C3CCC(O)(C3)C12O.
What is the InChIKey of tricyclo[5.2.1.02,6]decane-1,2,3-triol?
The InChIKey is CTYYNPXJFIKYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-2-1-7-6-3-4-9(12,5-6)10(7,8)13/h6-8,11-13H,1-5H2.
What are the key properties of tricyclo[5.2.1.02,6]decane-1,2,3-triol?
tricyclo[5.2.1.02,6]decane-1,2,3-triol has a molecular weight of 184.23 g/mol, XLogP of 0.03, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[5.2.1.02,6]decane-1,2,3-triol is sourced from PubChem (CID 141365619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).