Chemical ID: 4558795

CC1CCC(C(C1)OC2C=CC(=O)O2)C(C)C
Chemical ID:
4558795
Name [?]:
5-(2-isopropyl-5-methyl-cyclohexoxy)-5H-furan-2-one
SMILES [?]:
CC1CCC(C(C1)OC2C=CC(=O)O2)C(C)C
InChi [?]:
InChI=1/C14H22O3/c1-9(2)11-5-4-10(3)8-12(11)16-14-7-6-13(15)17-14/h6-7,9-12,14H,4-5,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,17,1,3,4,11,10,7,15,2,5,6,12,9,13,8,14/E:(1,2)/rA:17cCCCCCCCOCCCCOOCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;s9s12;s5;s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:4
ZAP Information [?]
Total:7.61363
Area:417.025
Solvation:-2.81198
Coulombic:-29.0202
Bond Count [?]
All:18
Single:16
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.323
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.07
LogP (Chemaxon):3.45

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Descriptor Annotations

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