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Chemical ID: 4555959
Chemical ID:
4555959
Name [?]:
None
SMILES [?]:
CC1(CCCC2(C13CCC(C3)C2(C)C)O)C
InChi [?]:
InChI=1/C15H26O/c1-12(2)7-5-8-15(16)13(3,4)11-6-9-14(12,15)10-11/h11,16H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,16,13,14,4,9,3,5,8,11,10,2,12,7,6,15/E:(1,2)(3,4)/rA:16cCCCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s7s10;s6s10;s12;s12;s6;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.94023 |
Area: | 360.067 |
Solvation: | -1.06143 |
Coulombic: | -19.5422 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 222.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.43 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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