(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol

C11H18O2 — CID 15363007

IUPAC(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol
SMILESO[C@@H]1C[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3[C@@H]2C1
InChIInChI=1S/C11H18O2/c12-8-2-6-1-7-3-9(13)5-11(7)10(6)4-8/h6-13H,1-5H2/t6-,7+,8+,9-,10+,11-
InChIKeySFUBYJHLGQDYQB-MXULBQIISA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol

(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol (PubChem CID 15363007) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol.

Molecular Properties

Compound Name(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol
PubChem CID15363007
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol
SMILESO[C@@H]1C[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3[C@@H]2C1
InChIInChI=1S/C11H18O2/c12-8-2-6-1-7-3-9(13)5-11(7)10(6)4-8/h6-13H,1-5H2/t6-,7+,8+,9-,10+,11-
InChIKeySFUBYJHLGQDYQB-MXULBQIISA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol?
The IUPAC name of (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol (CID 15363007) is (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol.
What is the SMILES notation for (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol?
The canonical SMILES for (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol is O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3[C@@H]2C1.
What is the InChIKey of (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol?
The InChIKey is SFUBYJHLGQDYQB-MXULBQIISA-N. The full InChI is InChI=1S/C11H18O2/c12-8-2-6-1-7-3-9(13)5-11(7)10(6)4-8/h6-13H,1-5H2/t6-,7+,8+,9-,10+,11-.
What are the key properties of (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol?
(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol is sourced from PubChem (CID 15363007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).