butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C11H19NO4 — CID 139997641

IUPACbutyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCOC(=O)N1C(C=O)COC1(C)C
InChIInChI=1S/C11H19NO4/c1-4-5-6-15-10(14)12-9(7-13)8-16-11(12,2)3/h7,9H,4-6,8H2,1-3H3
InChIKeyGMQMIDWYANCIPE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds4

About butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 139997641) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID139997641
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namebutyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCCOC(=O)N1C(C=O)COC1(C)C
InChIInChI=1S/C11H19NO4/c1-4-5-6-15-10(14)12-9(7-13)8-16-11(12,2)3/h7,9H,4-6,8H2,1-3H3
InChIKeyGMQMIDWYANCIPE-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
tert-butyl (4S)-4-[(E)-3-butoxy-2-methylprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 70331613
butyl 2-formylpyrrolidine-1-carboxylate
CID 54059986
butyl (4R)-4-[(S)-hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopyrrolidin-3-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 175841934
tert-butyl (4R)-2,2-dimethyl-4-(3-trimethylsilylhepta-1,2-dienyl)-1,3-oxazolidine-3-carboxylate
CID 102447104
4-(3-ethoxy-3-oxoprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 77218696
tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-(tributylstannylmethoxy)prop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 14660993
tert-butyl 4-[(Z)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 13008788
butyl aziridine-1-carboxylate
CID 12641
tert-butyl (4R)-4-(5-bromo-2-methylpent-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67918992
tert-butyl (4S)-4-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91132840
butyl 3-methylazetidine-3-carboxylate
CID 174909685

Frequently Asked Questions

What is the IUPAC name of butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 139997641) is butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCCCOC(=O)N1C(C=O)COC1(C)C.
What is the InChIKey of butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GMQMIDWYANCIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-5-6-15-10(14)12-9(7-13)8-16-11(12,2)3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139997641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).