(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol

C15H20O4 — CID 132838455

IUPAC(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol
SMILESOCC1=C2[C@H](O)CC[C@@H]2[C@]23CCC[C@@H](O)C2=C[C@H]1O3
InChIInChI=1S/C15H20O4/c16-7-8-13-6-10-11(17)2-1-5-15(10,19-13)9-3-4-12(18)14(8)9/h6,9,11-13,16-18H,1-5,7H2/t9-,11+,12+,13+,15+/m0/s1
InChIKeyYCLNNPOKODVLOJ-QUQNROOTSA-N
MW264.32 g/mol
LogP0.67
Rot. Bonds1

About (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol

(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol (PubChem CID 132838455) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol.

Molecular Properties

Compound Name(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol
PubChem CID132838455
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol
SMILESOCC1=C2[C@H](O)CC[C@@H]2[C@]23CCC[C@@H](O)C2=C[C@H]1O3
InChIInChI=1S/C15H20O4/c16-7-8-13-6-10-11(17)2-1-5-15(10,19-13)9-3-4-12(18)14(8)9/h6,9,11-13,16-18H,1-5,7H2/t9-,11+,12+,13+,15+/m0/s1
InChIKeyYCLNNPOKODVLOJ-QUQNROOTSA-N
XLogP0.67
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol?
The IUPAC name of (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol (CID 132838455) is (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol.
What is the SMILES notation for (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol?
The canonical SMILES for (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol is OCC1=C2[C@H](O)CC[C@@H]2[C@]23CCC[C@@H](O)C2=C[C@H]1O3.
What is the InChIKey of (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol?
The InChIKey is YCLNNPOKODVLOJ-QUQNROOTSA-N. The full InChI is InChI=1S/C15H20O4/c16-7-8-13-6-10-11(17)2-1-5-15(10,19-13)9-3-4-12(18)14(8)9/h6,9,11-13,16-18H,1-5,7H2/t9-,11+,12+,13+,15+/m0/s1.
What are the key properties of (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol?
(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol has a molecular weight of 264.32 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol is sourced from PubChem (CID 132838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).