3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine

C15H25NO — CID 145326241

IUPAC3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC/C=C\C1=C(/C=C\C)OCN(C(C)(C)CC)C1
InChIInChI=1S/C15H25NO/c1-6-9-13-11-16(15(4,5)8-3)12-17-14(13)10-7-2/h6-7,9-10H,8,11-12H2,1-5H3/b9-6-,10-7-
InChIKeyNDWKZRLCCLOAOT-LFPVQMOXSA-N
MW235.37 g/mol
LogP3.87
Rot. Bonds4

About 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine

3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (PubChem CID 145326241) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
PubChem CID145326241
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
SMILESC/C=C\C1=C(/C=C\C)OCN(C(C)(C)CC)C1
InChIInChI=1S/C15H25NO/c1-6-9-13-11-16(15(4,5)8-3)12-17-14(13)10-7-2/h6-7,9-10H,8,11-12H2,1-5H3/b9-6-,10-7-
InChIKeyNDWKZRLCCLOAOT-LFPVQMOXSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The IUPAC name of 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine (CID 145326241) is 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The canonical SMILES for 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is C/C=C\C1=C(/C=C\C)OCN(C(C)(C)CC)C1.
What is the InChIKey of 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
The InChIKey is NDWKZRLCCLOAOT-LFPVQMOXSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-9-13-11-16(15(4,5)8-3)12-17-14(13)10-7-2/h6-7,9-10H,8,11-12H2,1-5H3/b9-6-,10-7-.
What are the key properties of 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine?
3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine has a molecular weight of 235.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-5,6-bis[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine is sourced from PubChem (CID 145326241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).