Chemical ID: 4671013

CCCCC(CC)C1=NCCO1
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

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Experimental Annotations

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Descriptor Annotations

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