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Chemical ID: 5043169
Chemical ID:
5043169
Name [?]:
None
SMILES [?]:
CC(=CCCC1(C2CC3C1(C3C2)C)C)CO
InChi [?]:
InChI=1/C15H24O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,11-13,16H,4,6-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,14,13,4,3,5,8,12,15,2,7,9,11,6,10,16/E:(7,8)(12,13)/rA:16cCCCCCCCCCCCCCCCO/rB:s1;w2;s3;s4;s5;s6;s7;s8;s6s9;s9s10;s7s11;s10;s6;s2;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.84484 |
Area: | 417.069 |
Solvation: | -1.58189 |
Coulombic: | -19.2418 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 220.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.56 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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