(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol

C8H12O — CID 124536655

IUPAC(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
SMILESO[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]21
InChIInChI=1S/C8H12O/c9-8-2-4-1-7(8)6-3-5(4)6/h4-9H,1-3H2/t4-,5-,6+,7+,8-/m1/s1
InChIKeyALGYNBXGDXXSEN-QQGCVABSSA-N
MW124.18 g/mol
LogP1.02
Rot. Bonds

About (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol

(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol (PubChem CID 124536655) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol.

Molecular Properties

Compound Name(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
PubChem CID124536655
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
SMILESO[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]21
InChIInChI=1S/C8H12O/c9-8-2-4-1-7(8)6-3-5(4)6/h4-9H,1-3H2/t4-,5-,6+,7+,8-/m1/s1
InChIKeyALGYNBXGDXXSEN-QQGCVABSSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol?
The IUPAC name of (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol (CID 124536655) is (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol.
What is the SMILES notation for (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol?
The canonical SMILES for (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol is O[C@@H]1C[C@H]2C[C@H]1[C@H]1C[C@H]21.
What is the InChIKey of (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol?
The InChIKey is ALGYNBXGDXXSEN-QQGCVABSSA-N. The full InChI is InChI=1S/C8H12O/c9-8-2-4-1-7(8)6-3-5(4)6/h4-9H,1-3H2/t4-,5-,6+,7+,8-/m1/s1.
What are the key properties of (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol?
(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol has a molecular weight of 124.18 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol is sourced from PubChem (CID 124536655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).