(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid

C9H12O5 — CID 10488240

IUPAC(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]2C(O)O[C@H]3OC[C@@H]1[C@H]32
InChIInChI=1S/C9H12O5/c10-7(11)3-1-4-6-5(3)2-13-9(6)14-8(4)12/h3-6,8-9,12H,1-2H2,(H,10,11)/t3-,4+,5-,6+,8?,9+/m0/s1
InChIKeyODTIGTSWQOBEAO-IUPLFSOZSA-N
MW200.19 g/mol
LogP-0.36
Rot. Bonds1

About (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid

(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid (PubChem CID 10488240) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid.

Molecular Properties

Compound Name(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid
PubChem CID10488240
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]2C(O)O[C@H]3OC[C@@H]1[C@H]32
InChIInChI=1S/C9H12O5/c10-7(11)3-1-4-6-5(3)2-13-9(6)14-8(4)12/h3-6,8-9,12H,1-2H2,(H,10,11)/t3-,4+,5-,6+,8?,9+/m0/s1
InChIKeyODTIGTSWQOBEAO-IUPLFSOZSA-N
XLogP-0.36
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid?
The IUPAC name of (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid (CID 10488240) is (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid.
What is the SMILES notation for (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid?
The canonical SMILES for (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid is O=C(O)[C@H]1C[C@H]2C(O)O[C@H]3OC[C@@H]1[C@H]32.
What is the InChIKey of (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid?
The InChIKey is ODTIGTSWQOBEAO-IUPLFSOZSA-N. The full InChI is InChI=1S/C9H12O5/c10-7(11)3-1-4-6-5(3)2-13-9(6)14-8(4)12/h3-6,8-9,12H,1-2H2,(H,10,11)/t3-,4+,5-,6+,8?,9+/m0/s1.
What are the key properties of (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid?
(1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5S,7R,10S)-8-hydroxy-2,9-dioxatricyclo[5.2.1.04,10]decane-5-carboxylic acid is sourced from PubChem (CID 10488240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).