4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane

C11H24NO4P — CID 10491916

IUPAC4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
SMILESCCOP(=O)(OCC)C1NC(C)OCC1(C)C
InChIInChI=1S/C11H24NO4P/c1-6-15-17(13,16-7-2)10-11(4,5)8-14-9(3)12-10/h9-10,12H,6-8H2,1-5H3
InChIKeyMDDUHFLMQHUXPJ-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.57
Rot. Bonds5

About 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane

4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane (PubChem CID 10491916) has the molecular formula C11H24NO4P and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane.

Molecular Properties

Compound Name4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
PubChem CID10491916
Molecular FormulaC11H24NO4P
Molecular Weight265.29 g/mol
Exact Mass265.14
IUPAC Name4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
SMILESCCOP(=O)(OCC)C1NC(C)OCC1(C)C
InChIInChI=1S/C11H24NO4P/c1-6-15-17(13,16-7-2)10-11(4,5)8-14-9(3)12-10/h9-10,12H,6-8H2,1-5H3
InChIKeyMDDUHFLMQHUXPJ-UHFFFAOYSA-N
XLogP2.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
(2R,6S)-2-diethoxyphosphoryl-6-methylpiperidine
CID 11402086
(1S,5S)-1-diethoxyphosphoryl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 132518276
(2R)-2-diethoxyphosphorylpyrrolidine
CID 10727017
(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one
CID 15531256
3-diethoxyphosphorylcyclobutan-1-amine
CID 10727016
(5,5-dimethyl-1,3-thiazolidin-4-yl)-ethoxyphosphinic acid
CID 88697354
cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
CID 125475013
diethyl [(4R)-2-methyl-4-[2-(4-octylphenyl)ethyl]-1,3-oxazolidin-4-yl]methyl phosphate
CID 143009519
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
2-ethoxy-5,5-dimethyl-1,3-dioxane
CID 11137431
2,3-bis(diethoxyphosphoryl)buta-1,3-diene
CID 23364349

Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane?
The IUPAC name of 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane (CID 10491916) is 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane.
What is the SMILES notation for 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane?
The canonical SMILES for 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane is CCOP(=O)(OCC)C1NC(C)OCC1(C)C.
What is the InChIKey of 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane?
The InChIKey is MDDUHFLMQHUXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO4P/c1-6-15-17(13,16-7-2)10-11(4,5)8-14-9(3)12-10/h9-10,12H,6-8H2,1-5H3.
What are the key properties of 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane?
4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane has a molecular weight of 265.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane is sourced from PubChem (CID 10491916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).