(4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane

C16H21NO — CID 134856163

IUPAC(4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane
SMILESC=CCCN1CO[C@H](c2ccccc2)C[C@@H]1C=C
InChIInChI=1S/C16H21NO/c1-3-5-11-17-13-18-16(12-15(17)4-2)14-9-7-6-8-10-14/h3-4,6-10,15-16H,1-2,5,11-13H2/t15-,16-/m0/s1
InChIKeyYSXMZFNGASBOEZ-HOTGVXAUSA-N
MW243.35 g/mol
LogP3.54
Rot. Bonds5

About (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane

(4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane (PubChem CID 134856163) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane.

Molecular Properties

Compound Name(4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane
PubChem CID134856163
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane
SMILESC=CCCN1CO[C@H](c2ccccc2)C[C@@H]1C=C
InChIInChI=1S/C16H21NO/c1-3-5-11-17-13-18-16(12-15(17)4-2)14-9-7-6-8-10-14/h3-4,6-10,15-16H,1-2,5,11-13H2/t15-,16-/m0/s1
InChIKeyYSXMZFNGASBOEZ-HOTGVXAUSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane?
The IUPAC name of (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane (CID 134856163) is (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane.
What is the SMILES notation for (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane?
The canonical SMILES for (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane is C=CCCN1CO[C@H](c2ccccc2)C[C@@H]1C=C.
What is the InChIKey of (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane?
The InChIKey is YSXMZFNGASBOEZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-5-11-17-13-18-16(12-15(17)4-2)14-9-7-6-8-10-14/h3-4,6-10,15-16H,1-2,5,11-13H2/t15-,16-/m0/s1.
What are the key properties of (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane?
(4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane has a molecular weight of 243.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-3-but-3-enyl-4-ethenyl-6-phenyl-1,3-oxazinane is sourced from PubChem (CID 134856163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).