(4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one

C20H38N2O2 — CID 101433662

IUPAC(4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one
SMILESC=C[C@H]1[C@H](COCCCCCC)N(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C20H38N2O2/c1-9-11-12-13-14-24-15-17-16(10-2)21(19(3,4)5)18(23)22(17)20(6,7)8/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17-/m0/s1
InChIKeyBDDWKXIWUTYKRW-IRXDYDNUSA-N
MW338.54 g/mol
LogP4.84
Rot. Bonds8

About (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one

(4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one (PubChem CID 101433662) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one
PubChem CID101433662
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name(4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one
SMILESC=C[C@H]1[C@H](COCCCCCC)N(C(C)(C)C)C(=O)N1C(C)(C)C
InChIInChI=1S/C20H38N2O2/c1-9-11-12-13-14-24-15-17-16(10-2)21(19(3,4)5)18(23)22(17)20(6,7)8/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17-/m0/s1
InChIKeyBDDWKXIWUTYKRW-IRXDYDNUSA-N
XLogP4.84
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-1,3-ditert-butyl-4-ethenyl-5-propylimidazolidin-2-one
CID 23625132
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-butoxydotriacontane
CID 91693232
1-prop-2-enoxypentane;zirconium
CID 175164581
buta-1,3-diene;1-pentoxypentane
CID 87924219
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
1,3,4,6-tetrakis(butoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(hexoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(pentoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(propoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 158563450
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one?
The IUPAC name of (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one (CID 101433662) is (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one?
The canonical SMILES for (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one is C=C[C@H]1[C@H](COCCCCCC)N(C(C)(C)C)C(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one?
The InChIKey is BDDWKXIWUTYKRW-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-9-11-12-13-14-24-15-17-16(10-2)21(19(3,4)5)18(23)22(17)20(6,7)8/h10,16-17H,2,9,11-15H2,1,3-8H3/t16-,17-/m0/s1.
What are the key properties of (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one?
(4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one has a molecular weight of 338.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,3-ditert-butyl-4-ethenyl-5-(hexoxymethyl)imidazolidin-2-one is sourced from PubChem (CID 101433662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).