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Chemical ID: 5174217
Chemical ID:
5174217
Name [?]:
1-ethyl-3,5,8-trioxa-4-phosphabicyclo[2.2.2]octane
SMILES [?]:
CCC12COP(OC1)OC2
InChi [?]:
InChI=1/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,10,3,5,7,9,6/E:(3,4,5)(7,8,9)/rA:10nCCCCOPOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s3s9;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H11O3P |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.28115 |
Area: | 282.613 |
Solvation: | -2.78416 |
Coulombic: | -27.3521 |
Bond Count [?]
All: | 11 |
Single: | 11 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.124 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.49 |
LogP (Chemaxon): | 0.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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