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Chemical ID: 5135527
Chemical ID:
5135527
Name [?]:
1-(1-hydroxycycloheptyl)cycloheptan-1-ol
SMILES [?]:
C1CCCC(CC1)(C2(CCCCCC2)O)O
InChi [?]:
InChI=1/C14H26O2/c15-13(9-5-1-2-6-10-13)14(16)11-7-3-4-8-12-14/h15-16H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,7,3,10,13,6,4,9,14,5,8,16,15/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)/rA:16nCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s1s6;s5;s8;s9;s10;s11;s12;s8s13;s8;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H26O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.52976 |
Area: | 376.398 |
Solvation: | -1.88019 |
Coulombic: | -36.0601 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 226.355 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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