(7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one

C7H8O5 — CID 101444764

IUPAC(7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one
SMILESO=C1OC2C(O)OC3CC2[C@H]1O3
InChIInChI=1S/C7H8O5/c8-6-5-2-1-3(11-6)10-4(2)7(9)12-5/h2-6,8H,1H2/t2?,3?,4-,5?,6?/m1/s1
InChIKeySZYMTXLIPNMXEK-CEBZSESTSA-N
MW172.14 g/mol
LogP-1.01
Rot. Bonds

About (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one

(7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one (PubChem CID 101444764) has the molecular formula C7H8O5 and a molecular weight of 172.14 g/mol. Its IUPAC name is (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one.

Molecular Properties

Compound Name(7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one
PubChem CID101444764
Molecular FormulaC7H8O5
Molecular Weight172.14 g/mol
Exact Mass172.04
IUPAC Name(7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one
SMILESO=C1OC2C(O)OC3CC2[C@H]1O3
InChIInChI=1S/C7H8O5/c8-6-5-2-1-3(11-6)10-4(2)7(9)12-5/h2-6,8H,1H2/t2?,3?,4-,5?,6?/m1/s1
InChIKeySZYMTXLIPNMXEK-CEBZSESTSA-N
XLogP-1.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one?
The IUPAC name of (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one (CID 101444764) is (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one.
What is the SMILES notation for (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one?
The canonical SMILES for (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one is O=C1OC2C(O)OC3CC2[C@H]1O3.
What is the InChIKey of (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one?
The InChIKey is SZYMTXLIPNMXEK-CEBZSESTSA-N. The full InChI is InChI=1S/C7H8O5/c8-6-5-2-1-3(11-6)10-4(2)7(9)12-5/h2-6,8H,1H2/t2?,3?,4-,5?,6?/m1/s1.
What are the key properties of (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one?
(7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one has a molecular weight of 172.14 g/mol, XLogP of -1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-hydroxy-2,5,10-trioxatricyclo[5.2.1.04,8]decan-6-one is sourced from PubChem (CID 101444764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).