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Chemical ID: 4671013
Chemical ID:
4671013
Name [?]:
2-(1-ethylpentyl)-4,5-dihydrooxazole
SMILES [?]:
CCCCC(CC)C1=NCCO1
InChi [?]:
InChI=1/C10H19NO/c1-3-5-6-9(4-2)10-11-7-8-12-10/h9H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,4,10,11,5,8,9,12/rA:12cCCCCCCCCNCCO/rB:s1;s2;s3;s4;s5;s6;s5;d8;s9;s10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.0892 |
Area: | 359.543 |
Solvation: | -1.89937 |
Coulombic: | -14.6188 |
Bond Count [?]
All: | 12 |
Single: | 11 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 169.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.06 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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