tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate

C15H27NO3 — CID 123620989

IUPACtert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate
SMILESCC=CCCC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-7-8-9-10-12-11-18-15(5,6)16(12)13(17)19-14(2,3)4/h7-8,12H,9-11H2,1-6H3
InChIKeyJIHOVAXPGIGIMY-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.71
Rot. Bonds3

About tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 123620989) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID123620989
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate
SMILESCC=CCCC1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO3/c1-7-8-9-10-12-11-18-15(5,6)16(12)13(17)19-14(2,3)4/h7-8,12H,9-11H2,1-6H3
InChIKeyJIHOVAXPGIGIMY-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2S)-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145964582
tert-butyl (2S)-2-[[(E)-octadec-9-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145969146
(1S,8aS)-1-ethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11263711
tert-butyl (4S)-4-[(E)-1-fluorohexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801751
tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
tert-butyl (4S)-4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 58606456
tert-butyl (4S)-4-[(Z)-3-fluoro-4-isocyanobut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883042
tert-butyl 4-[(Z)-5-chloro-4-fluoropent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60033066
tert-butyl 4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60033081
tert-butyl (4S)-4-[(Z)-4-fluoro-5-hydroxypent-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 60083589
tert-Butyl-(4S)-4-(1-fluorohexadec-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 68854392
Tert-butyl 4-(4-fluoro-5-hydroxypent-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 72627760

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate (CID 123620989) is tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate is CC=CCCC1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JIHOVAXPGIGIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-8-9-10-12-11-18-15(5,6)16(12)13(17)19-14(2,3)4/h7-8,12H,9-11H2,1-6H3.
What are the key properties of tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-4-pent-3-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 123620989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).