tricyclo[5.2.1.02,6]decane-3,4,9-triol

C10H16O3 — CID 13191206

IUPACtricyclo[5.2.1.02,6]decane-3,4,9-triol
SMILESOC1CC2C3CC(O)C(C3)C2C1O
InChIInChI=1S/C10H16O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-13H,1-3H2
InChIKeyAKMSEFVQQNUOFA-UHFFFAOYSA-N
MW184.23 g/mol
LogP-0.25
Rot. Bonds

About tricyclo[5.2.1.02,6]decane-3,4,9-triol

tricyclo[5.2.1.02,6]decane-3,4,9-triol (PubChem CID 13191206) 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-3,4,9-triol.

Molecular Properties

Compound Nametricyclo[5.2.1.02,6]decane-3,4,9-triol
PubChem CID13191206
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nametricyclo[5.2.1.02,6]decane-3,4,9-triol
SMILESOC1CC2C3CC(O)C(C3)C2C1O
InChIInChI=1S/C10H16O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-13H,1-3H2
InChIKeyAKMSEFVQQNUOFA-UHFFFAOYSA-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

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Related Compounds

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CID 95606
Octahydro-4,7-methano-1H-indene-1,2-diol
CID 98964
8-Hydroxy-4-hydroxymethyltricyclo(5.2.1.0 2,6)decane
CID 253824
Octahydro-1aH-2,5-methanoindeno[1,2-b]oxiren-3-ol
CID 4533213
Octahydro-4,7-methano-1H-indene-5,6-diol
CID 44153885
(2-Hydroxynorborn-5-yl)methanol
CID 20394065
Exo,exo-4-methyl-octahydro-4,7-methanoindene-5,6-diol
CID 70126233
4,7-Methanoindan-5-ol, hexahydro-, endo-,exo-
CID 13191203
Octahydro-4,7-methano-1H-indene-1,2,5-triol
CID 114496
Octahydro-5-hydroxy-4,7-methano-1H-indenemethanol
CID 44151806
2,6-Dihydroxy-tricyclo[5.2.1.02,6]decane
CID 14891508
2-[(Octahydro-1H-4,7-methanoinden-5-yl)oxy]ethan-1-ol
CID 53948226

Frequently Asked Questions

What is the IUPAC name of tricyclo[5.2.1.02,6]decane-3,4,9-triol?
The IUPAC name of tricyclo[5.2.1.02,6]decane-3,4,9-triol (CID 13191206) is tricyclo[5.2.1.02,6]decane-3,4,9-triol.
What is the SMILES notation for tricyclo[5.2.1.02,6]decane-3,4,9-triol?
The canonical SMILES for tricyclo[5.2.1.02,6]decane-3,4,9-triol is OC1CC2C3CC(O)C(C3)C2C1O.
What is the InChIKey of tricyclo[5.2.1.02,6]decane-3,4,9-triol?
The InChIKey is AKMSEFVQQNUOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-7-2-4-1-6(7)9-5(4)3-8(12)10(9)13/h4-13H,1-3H2.
What are the key properties of tricyclo[5.2.1.02,6]decane-3,4,9-triol?
tricyclo[5.2.1.02,6]decane-3,4,9-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 tricyclo[5.2.1.02,6]decane-3,4,9-triol is sourced from PubChem (CID 13191206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).