2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

C14H25NO — CID 134864013

IUPAC2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCCC/C=C\CCC1=NC(C)(C)CC(C)O1
InChIInChI=1S/C14H25NO/c1-5-6-7-8-9-10-13-15-14(3,4)11-12(2)16-13/h7-8,12H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyVTWFZQBNCDGQDJ-FPLPWBNLSA-N
MW223.36 g/mol
LogP4.11
Rot. Bonds5

About 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine

2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (PubChem CID 134864013) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
PubChem CID134864013
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SMILESCCC/C=C\CCC1=NC(C)(C)CC(C)O1
InChIInChI=1S/C14H25NO/c1-5-6-7-8-9-10-13-15-14(3,4)11-12(2)16-13/h7-8,12H,5-6,9-11H2,1-4H3/b8-7-
InChIKeyVTWFZQBNCDGQDJ-FPLPWBNLSA-N
XLogP4.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-But-3-enyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 85810843
2-But-3-enyl-3,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazin-3-ium iodide
CID 134893700
2-[(E)-but-1-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
CID 121224267
2-But-3-enyl-3,4,4,6-tetramethyl-5,6-dihydro-1,3-oxazin-3-ium
CID 134893701

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The IUPAC name of 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine (CID 134864013) is 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is CCC/C=C\CCC1=NC(C)(C)CC(C)O1.
What is the InChIKey of 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
The InChIKey is VTWFZQBNCDGQDJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-7-8-9-10-13-15-14(3,4)11-12(2)16-13/h7-8,12H,5-6,9-11H2,1-4H3/b8-7-.
What are the key properties of 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine?
2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine has a molecular weight of 223.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hept-3-enyl]-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine is sourced from PubChem (CID 134864013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).