(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol

C10H10O2 — CID 98557506

IUPAC(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol
SMILESO[C@H]1C2[C@@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]4[C@@]34[C@@H](O)[C@]214
InChIInChI=1S/C10H10O2/c11-7-2-1-3-5(2)10-6(7)4(1)9(3,10)8(10)12/h1-8,11-12H/t1-,2-,3-,4+,5-,6?,7-,8-,9+,10-/m1/s1
InChIKeyZJDGXXZQWCKVNQ-DYJYIKFXSA-N
MW162.19 g/mol
LogP-0.54
Rot. Bonds

About (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol

(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol (PubChem CID 98557506) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol.

Molecular Properties

Compound Name(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol
PubChem CID98557506
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol
SMILESO[C@H]1C2[C@@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]4[C@@]34[C@@H](O)[C@]214
InChIInChI=1S/C10H10O2/c11-7-2-1-3-5(2)10-6(7)4(1)9(3,10)8(10)12/h1-8,11-12H/t1-,2-,3-,4+,5-,6?,7-,8-,9+,10-/m1/s1
InChIKeyZJDGXXZQWCKVNQ-DYJYIKFXSA-N
XLogP-0.54
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol?
The IUPAC name of (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol (CID 98557506) is (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol.
What is the SMILES notation for (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol?
The canonical SMILES for (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol is O[C@H]1C2[C@@H]3[C@@H]4[C@@H]1[C@@H]1[C@@H]4[C@@]34[C@@H](O)[C@]214.
What is the InChIKey of (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol?
The InChIKey is ZJDGXXZQWCKVNQ-DYJYIKFXSA-N. The full InChI is InChI=1S/C10H10O2/c11-7-2-1-3-5(2)10-6(7)4(1)9(3,10)8(10)12/h1-8,11-12H/t1-,2-,3-,4+,5-,6?,7-,8-,9+,10-/m1/s1.
What are the key properties of (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol?
(1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol has a molecular weight of 162.19 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R,5R,6R,7S,8S,9R,10R)-hexacyclo[5.3.0.01,9.02,5.03,9.04,8]decane-6,10-diol is sourced from PubChem (CID 98557506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).