(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol

C12H16O2 — CID 124792530

IUPAC(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
SMILESO[C@@H]1C[C@@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H](O)[C@H]([C@H]24)[C@H]1[C@H]53
InChIInChI=1S/C12H16O2/c13-5-1-3-7-8-4-2-6(14)12(9(3)8)11(5)10(4)7/h3-14H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12-/m1/s1
InChIKeyISGSXXAFZPIHMC-DQTXGXKNSA-N
MW192.26 g/mol
LogP0.49
Rot. Bonds

About (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol

(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol (PubChem CID 124792530) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
PubChem CID124792530
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
SMILESO[C@@H]1C[C@@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H](O)[C@H]([C@H]24)[C@H]1[C@H]53
InChIInChI=1S/C12H16O2/c13-5-1-3-7-8-4-2-6(14)12(9(3)8)11(5)10(4)7/h3-14H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12-/m1/s1
InChIKeyISGSXXAFZPIHMC-DQTXGXKNSA-N
XLogP0.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol?
The IUPAC name of (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol (CID 124792530) is (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol.
What is the SMILES notation for (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol?
The canonical SMILES for (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol is O[C@@H]1C[C@@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H](O)[C@H]([C@H]24)[C@H]1[C@H]53.
What is the InChIKey of (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol?
The InChIKey is ISGSXXAFZPIHMC-DQTXGXKNSA-N. The full InChI is InChI=1S/C12H16O2/c13-5-1-3-7-8-4-2-6(14)12(9(3)8)11(5)10(4)7/h3-14H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12-/m1/s1.
What are the key properties of (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol?
(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol has a molecular weight of 192.26 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol is sourced from PubChem (CID 124792530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).