tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate

C15H25NO3 — CID 46933255

IUPACtert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate
SMILESC=CC[C@@H]1O[C@H](C)C[C@H](C=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-7-9-13-16(14(17)19-15(4,5)6)12(8-2)10-11(3)18-13/h7-8,11-13H,1-2,9-10H2,3-6H3/t11-,12+,13+/m1/s1
InChIKeyJATAKPVDSPMWJO-AGIUHOORSA-N
MW267.37 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate

tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate (PubChem CID 46933255) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate
PubChem CID46933255
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate
SMILESC=CC[C@@H]1O[C@H](C)C[C@H](C=C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO3/c1-7-9-13-16(14(17)19-15(4,5)6)12(8-2)10-11(3)18-13/h7-8,11-13H,1-2,9-10H2,3-6H3/t11-,12+,13+/m1/s1
InChIKeyJATAKPVDSPMWJO-AGIUHOORSA-N
XLogP3.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.49
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

tert-butyl 2-Vinylpiperidine-1-carboxylate
CID 14898394
tert-Butyl (S)-2-vinylpiperidine-1-carboxylate
CID 11229595
tert-butyl 4-[(3S)-hex-1-en-3-yl]oxypiperidine-1-carboxylate
CID 101850432
tert-butyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 131238189
tert-butyl (2R)-2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 134966522
(R)-tert-butyl 2-vinylpiperidine-1-carboxylate
CID 10976755
Tert-butyl 2-(2-methoxyethenyl)piperidine-1-carboxylate
CID 141051714
Tert-butyl 3-ethenyl-4-methoxypiperidine-1-carboxylate
CID 169981785
Tert-butyl 3-methyl-4-pent-4-enoxypiperidine-1-carboxylate
CID 172276059
tert-butyl N-(3-but-3-enoxycyclobutyl)-N-methylcarbamate
CID 178156000
tert-butyl N-methyl-N-(3-pent-4-enoxycyclobutyl)carbamate
CID 178156006
(4S,6S)-3-but-3-enyl-4-ethenyl-6-methyl-1,3-oxazinan-2-one
CID 44254540

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate (CID 46933255) is tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate is C=CC[C@@H]1O[C@H](C)C[C@H](C=C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate?
The InChIKey is JATAKPVDSPMWJO-AGIUHOORSA-N. The full InChI is InChI=1S/C15H25NO3/c1-7-9-13-16(14(17)19-15(4,5)6)12(8-2)10-11(3)18-13/h7-8,11-13H,1-2,9-10H2,3-6H3/t11-,12+,13+/m1/s1.
What are the key properties of tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate?
tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R,6R)-4-ethenyl-6-methyl-2-prop-2-enyl-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 46933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).