tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C14H25NO3 — CID 22474793

IUPACtert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C(CC)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-8-10(2)11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h11H,2,8-9H2,1,3-7H3
InChIKeyDEAQPMJHDSPSQQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.32
Rot. Bonds2

About tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 22474793) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID22474793
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=C(CC)C1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO3/c1-8-10(2)11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h11H,2,8-9H2,1,3-7H3
InChIKeyDEAQPMJHDSPSQQ-UHFFFAOYSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2,2-Dimethyl-4-vinyloxazolidine-3-carboxylic acid tert-butyl ester
CID 10878894
tert-butyl (4R,5R)-4-ethenyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 11506988
Tert-butyl 2,2-dimethyl-4-vinyloxazolidine-3-carboxylate
CID 13905152
tert-butyl (4R)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine-3-carboxylate
CID 90196773
tert-butyl (4R)-2,2-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)-1,3-oxazolidine-3-carboxylate
CID 11380877
tert-butyl (4S)-4-(3,3-difluoroprop-1-en-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169182684
tert-butyl (3S)-3-ethenyl-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134831195
tert-butyl (4S)-2,2-dimethyl-4-pent-4-enyl-1,3-oxazolidine-3-carboxylate
CID 178342254
tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10085341
Tert-butyl (4S)-4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11020618
tert-butyl (4S)-2,2-dimethyl-4-[(E)-pent-2-en-3-yl]-1,3-oxazolidine-3-carboxylate
CID 11140162
tert-butyl (4S)-2,2-dimethyl-4-prop-1-en-2-yl-1,3-oxazolidine-3-carboxylate
CID 11160830

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 22474793) is tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=C(CC)C1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DEAQPMJHDSPSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-10(2)11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h11H,2,8-9H2,1,3-7H3.
What are the key properties of tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-but-1-en-2-yl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22474793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).