5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine

C20H39NO — CID 143716346

IUPAC5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCCCCCCCCCCCC(CCC)C1=C(C)NCCO1
InChIInChI=1S/C20H39NO/c1-4-6-7-8-9-10-11-12-13-15-19(14-5-2)20-18(3)21-16-17-22-20/h19,21H,4-17H2,1-3H3
InChIKeyDZUOIJQIKFYUOV-UHFFFAOYSA-N
MW309.54 g/mol
LogP6.17
Rot. Bonds13

About 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine

5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine (PubChem CID 143716346) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine.

Molecular Properties

Compound Name5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine
PubChem CID143716346
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine
SMILESCCCCCCCCCCCC(CCC)C1=C(C)NCCO1
InChIInChI=1S/C20H39NO/c1-4-6-7-8-9-10-11-12-13-15-19(14-5-2)20-18(3)21-16-17-22-20/h19,21H,4-17H2,1-3H3
InChIKeyDZUOIJQIKFYUOV-UHFFFAOYSA-N
XLogP6.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6-undecan-2-yl-3,4-dihydro-2H-1,4-oxazine
CID 71088991
5,11-Dipropyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
CID 143716372
6-decan-3-yl-5-methyl-3,4-dihydro-2H-1,4-oxazine
CID 143716421
2-Butyl-10-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716426
2,10-Dipropyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716448
11-Methyl-2,3,4,5,6,7,8,9,10,11-decahydrocyclonona[b][1,4]oxazine
CID 143716470
5-methyl-6-undecan-4-yl-3,4-dihydro-2H-1,4-oxazine
CID 143716517
10-Butyl-2-propyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716684
2-Ethyl-12-oxa-15-azabicyclo[9.4.0]pentadec-1(11)-ene
CID 143716699
2-butyl-5-ethyl-6-propyl-3,4-dihydro-2H-1,4-oxazine;heptane;3-methylnonane
CID 168179363
6-[(3,4-dimethylcyclohex-3-en-1-yl)methyl]-5-methyl-3-[(6-methyl-3,4-dihydro-2H-pyran-5-yl)methyl]-1,2,3,4-tetrahydropyridine
CID 170287304
2,5-diethyl-6-heptan-4-yl-3,4-dihydro-2H-1,4-oxazine
CID 168178736

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine?
The IUPAC name of 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine (CID 143716346) is 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine.
What is the SMILES notation for 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine?
The canonical SMILES for 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine is CCCCCCCCCCCC(CCC)C1=C(C)NCCO1.
What is the InChIKey of 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine?
The InChIKey is DZUOIJQIKFYUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-4-6-7-8-9-10-11-12-13-15-19(14-5-2)20-18(3)21-16-17-22-20/h19,21H,4-17H2,1-3H3.
What are the key properties of 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine?
5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine has a molecular weight of 309.54 g/mol, XLogP of 6.17, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-pentadecan-4-yl-3,4-dihydro-2H-1,4-oxazine is sourced from PubChem (CID 143716346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).