1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone

C11H14O4 — CID 59131272

IUPAC1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone
SMILESCC(=O)C1=CO[C@@H]2OC[C@@H]3CC(O)[C@H]1[C@@H]32
InChIInChI=1S/C11H14O4/c1-5(12)7-4-15-11-9-6(3-14-11)2-8(13)10(7)9/h4,6,8-11,13H,2-3H2,1H3/t6-,8?,9+,10-,11-/m0/s1
InChIKeyBGYOLDJLHHAVOS-XTDUXSBASA-N
MW210.23 g/mol
LogP0.46
Rot. Bonds1

About 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone

1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone (PubChem CID 59131272) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone
PubChem CID59131272
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone
SMILESCC(=O)C1=CO[C@@H]2OC[C@@H]3CC(O)[C@H]1[C@@H]32
InChIInChI=1S/C11H14O4/c1-5(12)7-4-15-11-9-6(3-14-11)2-8(13)10(7)9/h4,6,8-11,13H,2-3H2,1H3/t6-,8?,9+,10-,11-/m0/s1
InChIKeyBGYOLDJLHHAVOS-XTDUXSBASA-N
XLogP0.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone?
The IUPAC name of 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone (CID 59131272) is 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone.
What is the SMILES notation for 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone?
The canonical SMILES for 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone is CC(=O)C1=CO[C@@H]2OC[C@@H]3CC(O)[C@H]1[C@@H]32.
What is the InChIKey of 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone?
The InChIKey is BGYOLDJLHHAVOS-XTDUXSBASA-N. The full InChI is InChI=1S/C11H14O4/c1-5(12)7-4-15-11-9-6(3-14-11)2-8(13)10(7)9/h4,6,8-11,13H,2-3H2,1H3/t6-,8?,9+,10-,11-/m0/s1.
What are the key properties of 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone?
1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone has a molecular weight of 210.23 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R,7S,11R)-6-hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-8-en-8-yl]ethanone is sourced from PubChem (CID 59131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).