Chemical ID: 4961289

CC(=O)C1CC2=C(CCCC2(C)C)CC1(C)C
Chemical ID:
4961289
Name [?]:
1-(3,3,8,8-tetramethyl-1,2,4,5,6,7-hexahydronaphthalen-2-yl)ethanone
SMILES [?]:
CC(=O)C1CC2=C(CCCC2(C)C)CC1(C)C
InChi [?]:
InChI=1/C16H26O/c1-11(17)13-9-14-12(10-16(13,4)5)7-6-8-15(14,2)3/h13H,6-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,12,13,16,17,9,8,10,5,14,2,7,4,6,11,15,3/E:(2,3)(4,5)/rA:17cCCOCCCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;s8;s9;s6s10;s11;s11;s7;s4s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.60243
Area:404.983
Solvation:-1.52215
Coulombic:-8.60224
Bond Count [?]
All:18
Single:16
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:234.377
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.06
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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