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Chemical ID: 6690781
Chemical ID:
6690781
Name [?]:
None
SMILES [?]:
CC1(CCCC2(C3C1C(C2CO)CC3)C)C
InChi [?]:
InChI=1/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,15,4,13,14,3,5,11,9,7,10,8,2,6,12/E:(1,2)/rA:16cCCCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s2s7;s8;s6s9;s10;s11;s9;s7s13;s6;s2;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H26O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 7.77774 |
Area: | 363.925 |
Solvation: | -1.32039 |
Coulombic: | -19.0871 |
Bond Count [?]
All: | 18 |
Single: | 18 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 222.366 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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