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

C16H29NO3 — CID 169195750

IUPACethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione
SMILESCC.CCC(C)(C)OCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO3.C2H6/c1-6-14(4,5)18-10-9-13(2,3)15-11(16)7-8-12(15)17;1-2/h7-8H,6,9-10H2,1-5H3;1-2H3
InChIKeyRXFZOCXRHUCNQZ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.31
Rot. Bonds6

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

ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione (PubChem CID 169195750) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Nameethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione
PubChem CID169195750
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nameethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione
SMILESCC.CCC(C)(C)OCCC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C14H23NO3.C2H6/c1-6-14(4,5)18-10-9-13(2,3)15-11(16)7-8-12(15)17;1-2/h7-8H,6,9-10H2,1-5H3;1-2H3
InChIKeyRXFZOCXRHUCNQZ-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.31
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-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
The IUPAC name of ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione (CID 169195750) is ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione is CC.CCC(C)(C)OCCC(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
The InChIKey is RXFZOCXRHUCNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3.C2H6/c1-6-14(4,5)18-10-9-13(2,3)15-11(16)7-8-12(15)17;1-2/h7-8H,6,9-10H2,1-5H3;1-2H3.
What are the key properties of ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione?
ethane;1-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione has a molecular weight of 283.41 g/mol, XLogP of 3.31, 6 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-methylbutan-2-yloxy)butan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 169195750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).