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Chemical ID: 3966544
Chemical ID:
3966544
Name [?]:
3-[2-[7a-methyl-1-(1,4,5-trimethylhex-2-enyl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexan-1-ol
SMILES [?]:
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChi [?]:
InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3
InChi Info:
AuxInfo=1/0/N:1,3,5,27,9,29,16,17,6,7,25,19,20,24,11,12,15,22,2,4,26,8,18,21,23,10,13,14,28/E:(1,2)/rA:29cCCCCCCCCCCCCCCCCCCCCCCCCCCCOC/rB:s1;s2;s2;s4;s4;w6;s7;s8;s8;s10;s11;s12;s10s13;s14;s15;s16;s13s17;w18;s19;w20;s21;s22;s23;s24;s21s25;d26;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H44O |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 13.9758 |
Area: | 627.339 |
Solvation: | -1.70767 |
Coulombic: | -23.8581 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 3 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 396.648 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.27 |
LogP (Chemaxon): | 6.95 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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