5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one

C12H18O3 — CID 18436230

IUPAC5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one
SMILESCC1(C23CCC(CC2)C3)CC(O)C(=O)O1
InChIInChI=1S/C12H18O3/c1-11(7-9(13)10(14)15-11)12-4-2-8(6-12)3-5-12/h8-9,13H,2-7H2,1H3
InChIKeyGLTUILHATBDLNG-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.63
Rot. Bonds1

About 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one

5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one (PubChem CID 18436230) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one
PubChem CID18436230
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one
SMILESCC1(C23CCC(CC2)C3)CC(O)C(=O)O1
InChIInChI=1S/C12H18O3/c1-11(7-9(13)10(14)15-11)12-4-2-8(6-12)3-5-12/h8-9,13H,2-7H2,1H3
InChIKeyGLTUILHATBDLNG-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one?
The IUPAC name of 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one (CID 18436230) is 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one is CC1(C23CCC(CC2)C3)CC(O)C(=O)O1.
What is the InChIKey of 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one?
The InChIKey is GLTUILHATBDLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-11(7-9(13)10(14)15-11)12-4-2-8(6-12)3-5-12/h8-9,13H,2-7H2,1H3.
What are the key properties of 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one?
5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one has a molecular weight of 210.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bicyclo[2.2.1]heptanyl)-3-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 18436230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).