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Chemical ID: 3966619
Chemical ID:
3966619
Name [?]:
heptadeca-1,9-dien-4,6-diyn-3-ol
SMILES [?]:
CCCCCCCC=CCC#CC#CC(C=C)O
InChi [?]:
InChI=1/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,4,5,6,7,8,9,10,11,12,13,14,15,18/rA:18cCCCCCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;w8;s9;s10;t11;s12;t13;s14;s15;d16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.2458 |
Area: | 557.167 |
Solvation: | -1.68342 |
Coulombic: | -22.9097 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 244.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.14 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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