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Chemical ID: 4604037
Chemical ID:
4604037
Name [?]:
2,3,5,5,6-pentamethylnorbornan-2-ol
SMILES [?]:
CC1C2CC(C1(C)C)C(C2(C)O)C
InChi [?]:
InChI=1/C12H22O/c1-7-10-6-9(11(7,3)4)8(2)12(10,5)13/h7-10,13H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,13,7,8,11,4,2,9,5,3,6,10,12/E:(3,4)/rA:13cCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s2s5;s6;s6;s5;s3s9;s10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 7.1098 |
Area: | 333.801 |
Solvation: | -1.23522 |
Coulombic: | -18.7863 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 182.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.56 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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