2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione

C24H31NO4 — CID 101263871

IUPAC2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione
SMILESC=CCC1COC(C)C1/C=C/C(CCCCC)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H31NO4/c1-4-6-7-11-19(14-15-20-17(3)28-16-18(20)10-5-2)29-25-23(26)21-12-8-9-13-22(21)24(25)27/h5,8-9,12-15,17-20H,2,4,6-7,10-11,16H2,1,3H3/b15-14+
InChIKeyZZAMJJQBXUSCSC-CCEZHUSRSA-N
MW397.52 g/mol
LogP4.95
Rot. Bonds10

About 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione

2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione (PubChem CID 101263871) has the molecular formula C24H31NO4 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione
PubChem CID101263871
Molecular FormulaC24H31NO4
Molecular Weight397.52 g/mol
Exact Mass397.23
IUPAC Name2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione
SMILESC=CCC1COC(C)C1/C=C/C(CCCCC)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H31NO4/c1-4-6-7-11-19(14-15-20-17(3)28-16-18(20)10-5-2)29-25-23(26)21-12-8-9-13-22(21)24(25)27/h5,8-9,12-15,17-20H,2,4,6-7,10-11,16H2,1,3H3/b15-14+
InChIKeyZZAMJJQBXUSCSC-CCEZHUSRSA-N
XLogP4.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione with MolForge

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Related Compounds

2-tridec-1-en-4-yloxyisoindole-1,3-dione
CID 72701710
2-(1-phenylbut-3-enoxy)isoindole-1,3-dione
CID 23251030
[(4S)-4-(1,3-dioxoisoindol-2-yl)oxyhex-5-enyl] benzoate
CID 134961328
(1S,2S,3R,5R)-3-phenylmethoxy-2-[(E,3S)-3-phenylmethoxyoct-1-enyl]-6,8-dioxabicyclo[3.2.1]octane
CID 10884627
2-[(3R)-1-hydroxypentan-3-yl]oxyisoindole-1,3-dione
CID 11448047
2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
methyl 2-(1,3-dioxoisoindol-2-yl)heptanoate
CID 101207744
(2R,3R,4R)-3-[(E,3S)-3-bis(phosphanyl)phosphanyloxyoct-1-enyl]-4-methyl-2-[(3-methylphenyl)methyl]cyclopentan-1-one
CID 71277383
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-(1-bromoundecyl)isoindole-1,3-dione
CID 146464278
3-methylidene-2-pent-4-enoxyisoindol-1-one
CID 123151473
benzoyl 5-(3-hydroxyoct-1-enyl)-3-methyl-2-oxoimidazolidine-1-carboxylate
CID 54179656

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione (CID 101263871) is 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione is C=CCC1COC(C)C1/C=C/C(CCCCC)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione?
The InChIKey is ZZAMJJQBXUSCSC-CCEZHUSRSA-N. The full InChI is InChI=1S/C24H31NO4/c1-4-6-7-11-19(14-15-20-17(3)28-16-18(20)10-5-2)29-25-23(26)21-12-8-9-13-22(21)24(25)27/h5,8-9,12-15,17-20H,2,4,6-7,10-11,16H2,1,3H3/b15-14+.
What are the key properties of 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione?
2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione has a molecular weight of 397.52 g/mol, XLogP of 4.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(2-methyl-4-prop-2-enyloxolan-3-yl)oct-1-en-3-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 101263871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).