ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione

C17H31NO3 — CID 169243810

IUPACethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione
SMILESCC.CCCC(C)(C)OCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C15H25NO3.C2H6/c1-6-9-15(4,5)19-11-10-14(2,3)16-12(17)7-8-13(16)18;1-2/h7-8H,6,9-11H2,1-5H3;1-2H3
InChIKeyOUFVZMSYYRWWCF-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.70
Rot. Bonds7

About ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione

ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione (PubChem CID 169243810) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione
PubChem CID169243810
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Nameethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione
SMILESCC.CCCC(C)(C)OCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C15H25NO3.C2H6/c1-6-9-15(4,5)19-11-10-14(2,3)16-12(17)7-8-13(16)18;1-2/h7-8H,6,9-11H2,1-5H3;1-2H3
InChIKeyOUFVZMSYYRWWCF-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
The IUPAC name of ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione (CID 169243810) is ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione is CC.CCCC(C)(C)OCCC(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
The InChIKey is OUFVZMSYYRWWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3.C2H6/c1-6-9-15(4,5)19-11-10-14(2,3)16-12(17)7-8-13(16)18;1-2/h7-8H,6,9-11H2,1-5H3;1-2H3.
What are the key properties of ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione has a molecular weight of 297.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 169243810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).