6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide

C7H16NO3P — CID 170850968

IUPAC6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide
SMILESCCN1CCOP(C)(=O)OCC1
InChIInChI=1S/C7H16NO3P/c1-3-8-4-6-10-12(2,9)11-7-5-8/h3-7H2,1-2H3
InChIKeyCVCLBGFSPDHJPC-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.18
Rot. Bonds1

About 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide

6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide (PubChem CID 170850968) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide.

Molecular Properties

Compound Name6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide
PubChem CID170850968
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide
SMILESCCN1CCOP(C)(=O)OCC1
InChIInChI=1S/C7H16NO3P/c1-3-8-4-6-10-12(2,9)11-7-5-8/h3-7H2,1-2H3
InChIKeyCVCLBGFSPDHJPC-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 163271504
1,4-diethylpiperazine;sulfane
CID 177062456
4-ethyl-1,4-oxazocane
CID 123629290
1,6-diethyl-1,6-diazecane
CID 172611513
ethane;4-ethylmorpholine;propan-2-ol
CID 172575881
1-ethyl-4-propan-2-yl-1,4λ5-azaphosphinane 4-oxide
CID 147490974
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide?
The IUPAC name of 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide (CID 170850968) is 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide.
What is the SMILES notation for 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide?
The canonical SMILES for 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide is CCN1CCOP(C)(=O)OCC1.
What is the InChIKey of 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide?
The InChIKey is CVCLBGFSPDHJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-3-8-4-6-10-12(2,9)11-7-5-8/h3-7H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide?
6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide has a molecular weight of 193.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-1,3,6,2λ5-dioxazaphosphocane 2-oxide is sourced from PubChem (CID 170850968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).