5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione

C16H15Cl2NO5 — CID 22313870

IUPAC5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1CC1CC2(CCO1)OCCO2
InChIInChI=1S/C16H15Cl2NO5/c17-12-5-10-11(6-13(12)18)15(21)19(14(10)20)8-9-7-16(1-2-22-9)23-3-4-24-16/h5-6,9H,1-4,7-8H2
InChIKeyZNLJNQVUOKMQPW-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.51
Rot. Bonds2

About 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione

5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione (PubChem CID 22313870) has the molecular formula C16H15Cl2NO5 and a molecular weight of 372.20 g/mol. Its IUPAC name is 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione
PubChem CID22313870
Molecular FormulaC16H15Cl2NO5
Molecular Weight372.20 g/mol
Exact Mass371.03
IUPAC Name5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2cc(Cl)c(Cl)cc2C(=O)N1CC1CC2(CCO1)OCCO2
InChIInChI=1S/C16H15Cl2NO5/c17-12-5-10-11(6-13(12)18)15(21)19(14(10)20)8-9-7-16(1-2-22-9)23-3-4-24-16/h5-6,9H,1-4,7-8H2
InChIKeyZNLJNQVUOKMQPW-UHFFFAOYSA-N
XLogP2.51
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione (CID 22313870) is 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione is O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CC1CC2(CCO1)OCCO2.
What is the InChIKey of 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione?
The InChIKey is ZNLJNQVUOKMQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5/c17-12-5-10-11(6-13(12)18)15(21)19(14(10)20)8-9-7-16(1-2-22-9)23-3-4-24-16/h5-6,9H,1-4,7-8H2.
What are the key properties of 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione?
5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione has a molecular weight of 372.20 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(1,4,8-trioxaspiro[4.5]decan-7-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 22313870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).