2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione

C19H27NO4 — CID 142988145

IUPAC2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione
SMILESCOC(C)(C)CCOC(C)(C)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H27NO4/c1-18(2,23-5)11-13-24-19(3,4)10-12-20-16(21)14-8-6-7-9-15(14)17(20)22/h6-9H,10-13H2,1-5H3
InChIKeyMKHAWIIVNMQBRQ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.28
Rot. Bonds8

About 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione

2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione (PubChem CID 142988145) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione
PubChem CID142988145
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione
SMILESCOC(C)(C)CCOC(C)(C)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H27NO4/c1-18(2,23-5)11-13-24-19(3,4)10-12-20-16(21)14-8-6-7-9-15(14)17(20)22/h6-9H,10-13H2,1-5H3
InChIKeyMKHAWIIVNMQBRQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(3-methoxy-3-methylbutyl)isoindole-1,3-dione
CID 103033677
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
methane;3-[(2-methylpropan-2-yl)oxy]propan-1-amine;2-[3-[(2-methylpropan-2-yl)oxy]propyl]isoindole-1,3-dione
CID 158181358
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
CID 175771620
2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
2-[7-(2,2-dimethylpropoxy)heptyl]isoindole-1,3-dione
CID 139959344
hydron;2-propylisoindole-1,3-dione
CID 174827386
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-ethoxycarbonyl-2-methylbutanoic acid
CID 71517830

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione (CID 142988145) is 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione is COC(C)(C)CCOC(C)(C)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione?
The InChIKey is MKHAWIIVNMQBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-18(2,23-5)11-13-24-19(3,4)10-12-20-16(21)14-8-6-7-9-15(14)17(20)22/h6-9H,10-13H2,1-5H3.
What are the key properties of 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione?
2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione has a molecular weight of 333.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]isoindole-1,3-dione is sourced from PubChem (CID 142988145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).