5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)

C39H70N4O12V4 — CID 159248193

IUPAC5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)
SMILESC.C=CCCC(O)CNC(=O)OCC.C=CCCC1CN(C)C(=O)O1.C=CCCC1CNC(=O)O1.C=CCCC1CO1.CN1CC(CCC(O)CO)OC1=O.[V].[V].[V].[V]
InChIInChI=1S/C9H17NO3.C8H15NO4.C8H13NO2.C7H11NO2.C6H10O.CH4.4V/c1-3-5-6-8(11)7-10-9(12)13-4-2;1-9-4-7(13-8(9)12)3-2-6(11)5-10;1-3-4-5-7-6-9(2)8(10)11-7;1-2-3-4-6-5-8-7(9)10-6;1-2-3-4-6-5-7-6;;;;;/h3,8,11H,1,4-7H2,2H3,(H,10,12);6-7,10-11H,2-5H2,1H3;3,7H,1,4-6H2,2H3;2,6H,1,3-5H2,(H,8,9);2,6H,1,3-5H2;1H4;;;;
InChIKeyFTUDYNVIHVQRBI-UHFFFAOYSA-N
MW990.78 g/mol
LogP5.07
Rot. Bonds19

About 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)

5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium) (PubChem CID 159248193) has the molecular formula C39H70N4O12V4 and a molecular weight of 990.78 g/mol. Its IUPAC name is 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium).

Molecular Properties

Compound Name5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)
PubChem CID159248193
Molecular FormulaC39H70N4O12V4
Molecular Weight990.78 g/mol
Exact Mass990.27
IUPAC Name5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)
SMILESC.C=CCCC(O)CNC(=O)OCC.C=CCCC1CN(C)C(=O)O1.C=CCCC1CNC(=O)O1.C=CCCC1CO1.CN1CC(CCC(O)CO)OC1=O.[V].[V].[V].[V]
InChIInChI=1S/C9H17NO3.C8H15NO4.C8H13NO2.C7H11NO2.C6H10O.CH4.4V/c1-3-5-6-8(11)7-10-9(12)13-4-2;1-9-4-7(13-8(9)12)3-2-6(11)5-10;1-3-4-5-7-6-9(2)8(10)11-7;1-2-3-4-6-5-8-7(9)10-6;1-2-3-4-6-5-7-6;;;;;/h3,8,11H,1,4-7H2,2H3,(H,10,12);6-7,10-11H,2-5H2,1H3;3,7H,1,4-6H2,2H3;2,6H,1,3-5H2,(H,8,9);2,6H,1,3-5H2;1H4;;;;
InChIKeyFTUDYNVIHVQRBI-UHFFFAOYSA-N
XLogP5.07
TPSA208.96 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.78
LogP ≤ 55.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)?
The IUPAC name of 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium) (CID 159248193) is 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium).
What is the SMILES notation for 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)?
The canonical SMILES for 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium) is C.C=CCCC(O)CNC(=O)OCC.C=CCCC1CN(C)C(=O)O1.C=CCCC1CNC(=O)O1.C=CCCC1CO1.CN1CC(CCC(O)CO)OC1=O.[V].[V].[V].[V].
What is the InChIKey of 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)?
The InChIKey is FTUDYNVIHVQRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C8H15NO4.C8H13NO2.C7H11NO2.C6H10O.CH4.4V/c1-3-5-6-8(11)7-10-9(12)13-4-2;1-9-4-7(13-8(9)12)3-2-6(11)5-10;1-3-4-5-7-6-9(2)8(10)11-7;1-2-3-4-6-5-8-7(9)10-6;1-2-3-4-6-5-7-6;;;;;/h3,8,11H,1,4-7H2,2H3,(H,10,12);6-7,10-11H,2-5H2,1H3;3,7H,1,4-6H2,2H3;2,6H,1,3-5H2,(H,8,9);2,6H,1,3-5H2;1H4;;;;.
What are the key properties of 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium)?
5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium) has a molecular weight of 990.78 g/mol, XLogP of 5.07, 19 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3-methyl-1,3-oxazolidin-2-one;5-but-3-enyl-1,3-oxazolidin-2-one;2-but-3-enyloxirane;5-(3,4-dihydroxybutyl)-3-methyl-1,3-oxazolidin-2-one;ethyl N-(2-hydroxyhex-5-enyl)carbamate;methane;tetrakis(vanadium) is sourced from PubChem (CID 159248193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).