(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol

C11H14O2 — CID 6542091

IUPAC(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
SMILESO[C@@H]1[C@@H]2[C@@H]3[C@H](O)[C@H]4[C@@H]5C[C@@H]([C@H]2[C@@H]53)[C@@H]14
InChIInChI=1S/C11H14O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-13H,1H2/t2-,3+,4-,5+,6+,7-,8-,9+,10-,11+
InChIKeyRQPANVDSQXLBNR-RPZJQYIQSA-N
MW178.23 g/mol
LogP0.10
Rot. Bonds

About (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol

(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol (PubChem CID 6542091) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol.

Molecular Properties

Compound Name(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
PubChem CID6542091
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
SMILESO[C@@H]1[C@@H]2[C@@H]3[C@H](O)[C@H]4[C@@H]5C[C@@H]([C@H]2[C@@H]53)[C@@H]14
InChIInChI=1S/C11H14O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-13H,1H2/t2-,3+,4-,5+,6+,7-,8-,9+,10-,11+
InChIKeyRQPANVDSQXLBNR-RPZJQYIQSA-N
XLogP0.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol?
The IUPAC name of (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol (CID 6542091) is (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol.
What is the SMILES notation for (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol?
The canonical SMILES for (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol is O[C@@H]1[C@@H]2[C@@H]3[C@H](O)[C@H]4[C@@H]5C[C@@H]([C@H]2[C@@H]53)[C@@H]14.
What is the InChIKey of (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol?
The InChIKey is RQPANVDSQXLBNR-RPZJQYIQSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-13H,1H2/t2-,3+,4-,5+,6+,7-,8-,9+,10-,11+.
What are the key properties of (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol?
(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol has a molecular weight of 178.23 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol is sourced from PubChem (CID 6542091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).