tricyclo[5.2.1.02,6]decane-3,3,4-triol

C10H16O3 — CID 6453893

IUPACtricyclo[5.2.1.02,6]decane-3,3,4-triol
SMILESOC1CC2C3CCC(C3)C2C1(O)O
InChIInChI=1S/C10H16O3/c11-8-4-7-5-1-2-6(3-5)9(7)10(8,12)13/h5-9,11-13H,1-4H2
InChIKeyMSVYFKULKOQBHT-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.09
Rot. Bonds

About tricyclo[5.2.1.02,6]decane-3,3,4-triol

tricyclo[5.2.1.02,6]decane-3,3,4-triol (PubChem CID 6453893) 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-3,3,4-triol.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]decane-3,3,4-triol
PubChem CID6453893
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nametricyclo[5.2.1.02,6]decane-3,3,4-triol
SMILESOC1CC2C3CCC(C3)C2C1(O)O
InChIInChI=1S/C10H16O3/c11-8-4-7-5-1-2-6(3-5)9(7)10(8,12)13/h5-9,11-13H,1-4H2
InChIKeyMSVYFKULKOQBHT-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]decane-3,3,4-triol?
The IUPAC name of tricyclo[5.2.1.02,6]decane-3,3,4-triol (CID 6453893) is tricyclo[5.2.1.02,6]decane-3,3,4-triol.
What is the SMILES notation for tricyclo[5.2.1.02,6]decane-3,3,4-triol?
The canonical SMILES for tricyclo[5.2.1.02,6]decane-3,3,4-triol is OC1CC2C3CCC(C3)C2C1(O)O.
What is the InChIKey of tricyclo[5.2.1.02,6]decane-3,3,4-triol?
The InChIKey is MSVYFKULKOQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-8-4-7-5-1-2-6(3-5)9(7)10(8,12)13/h5-9,11-13H,1-4H2.
What are the key properties of tricyclo[5.2.1.02,6]decane-3,3,4-triol?
tricyclo[5.2.1.02,6]decane-3,3,4-triol has a molecular weight of 184.23 g/mol, XLogP of 0.09, 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-3,3,4-triol is sourced from PubChem (CID 6453893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).