(3R)-3-tetradecyloxaziridine

C15H31NO — CID 146036017

IUPAC(3R)-3-tetradecyloxaziridine
SMILESCCCCCCCCCCCCCC[C@@H]1NO1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-15/h15-16H,2-14H2,1H3/t15-/m1/s1
InChIKeyJQWVHUATADNVCB-OAHLLOKOSA-N
MW241.42 g/mol
LogP4.94
Rot. Bonds13

About (3R)-3-tetradecyloxaziridine

(3R)-3-tetradecyloxaziridine (PubChem CID 146036017) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (3R)-3-tetradecyloxaziridine.

Molecular Properties

Compound Name(3R)-3-tetradecyloxaziridine
PubChem CID146036017
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(3R)-3-tetradecyloxaziridine
SMILESCCCCCCCCCCCCCC[C@@H]1NO1
InChIInChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-15/h15-16H,2-14H2,1H3/t15-/m1/s1
InChIKeyJQWVHUATADNVCB-OAHLLOKOSA-N
XLogP4.94
TPSA34.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dioctyloxirane
CID 71399050
(2S,3R)-2-nonyl-3-octyloxirane
CID 169439821
2-hexyl-3-pentadecyloxirane
CID 21447526
3,6-diheptyl-1,2,4,5-tetraoxane
CID 10708512
2-heptyl-3-octyloxirane
CID 57269313
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tetradecyloxaziridine?
The IUPAC name of (3R)-3-tetradecyloxaziridine (CID 146036017) is (3R)-3-tetradecyloxaziridine.
What is the SMILES notation for (3R)-3-tetradecyloxaziridine?
The canonical SMILES for (3R)-3-tetradecyloxaziridine is CCCCCCCCCCCCCC[C@@H]1NO1.
What is the InChIKey of (3R)-3-tetradecyloxaziridine?
The InChIKey is JQWVHUATADNVCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-15/h15-16H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-3-tetradecyloxaziridine?
(3R)-3-tetradecyloxaziridine has a molecular weight of 241.42 g/mol, XLogP of 4.94, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tetradecyloxaziridine is sourced from PubChem (CID 146036017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).