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Chemical ID: 6679914
Chemical ID:
6679914
Name [?]:
2-ethyl-1,3,3-trimethyl-norbornan-2-ol
SMILES [?]:
CCC1(C(C2CCC1(C2)C)(C)C)O
InChi [?]:
InChI=1/C12H22O/c1-5-12(13)10(2,3)9-6-7-11(12,4)8-9/h9,13H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,2,6,7,9,5,4,8,3,13/E:(2,3)/rA:13cCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s3s7;s5s8;s8;s4;s4;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.03323 |
Area: | 326.483 |
Solvation: | -1.12884 |
Coulombic: | -19.0535 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 182.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.09 |
LogP (Chemaxon): | 3.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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