6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate

C19H23NO5 — CID 166185241

IUPAC6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
SMILESO=C(OCCCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1
InChIInChI=1S/C19H23NO5/c21-17-14-8-3-4-9-15(14)18(22)20(17)11-5-1-2-6-12-25-19(23)16-10-7-13-24-16/h3-4,8-9,16H,1-2,5-7,10-13H2/t16-/m1/s1
InChIKeyNJVZFPBJTXVXRN-MRXNPFEDSA-N
MW345.39 g/mol
LogP2.57
Rot. Bonds8

About 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate

6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate (PubChem CID 166185241) has the molecular formula C19H23NO5 and a molecular weight of 345.39 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
PubChem CID166185241
Molecular FormulaC19H23NO5
Molecular Weight345.39 g/mol
Exact Mass345.16
IUPAC Name6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate
SMILESO=C(OCCCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1
InChIInChI=1S/C19H23NO5/c21-17-14-8-3-4-9-15(14)18(22)20(17)11-5-1-2-6-12-25-19(23)16-10-7-13-24-16/h3-4,8-9,16H,1-2,5-7,10-13H2/t16-/m1/s1
InChIKeyNJVZFPBJTXVXRN-MRXNPFEDSA-N
XLogP2.57
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate (CID 166185241) is 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate is O=C(OCCCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate?
The InChIKey is NJVZFPBJTXVXRN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO5/c21-17-14-8-3-4-9-15(14)18(22)20(17)11-5-1-2-6-12-25-19(23)16-10-7-13-24-16/h3-4,8-9,16H,1-2,5-7,10-13H2/t16-/m1/s1.
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate?
6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate has a molecular weight of 345.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)hexyl (2R)-oxolane-2-carboxylate is sourced from PubChem (CID 166185241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).