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Chemical ID: 5143675
Chemical ID:
5143675
Name [?]:
2-[(4-propylphenoxy)methyl]oxirane
SMILES [?]:
CCCc1ccc(cc1)OCC2CO2
InChi [?]:
InChI=1/C12H16O2/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14-12/h4-7,12H,2-3,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,5,9,6,8,11,13,4,7,12,10,14/E:(4,5)(6,7)/rA:14cCCCCCCCCCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.17005 |
Area: | 395.237 |
Solvation: | -3.71087 |
Coulombic: | -17.0674 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 192.254 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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