Chemical ID: 6915739

CC1(C2CCC(O1)(CC2O)C)C
Chemical ID:
6915739
Name [?]:
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octan-6-ol
SMILES [?]:
CC1(C2CCC(O1)(CC2O)C)C
InChi [?]:
InChI=1/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,11,4,5,8,3,9,2,6,10,7/E:(1,2)/rA:12cCCCCCCOCCOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s3s8;s9;s6;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18O2
All Atoms:30
Heavy Atoms:12
Chiral Atoms:3
ZAP Information [?]
Total:5.18362
Area:309.109
Solvation:-2.54411
Coulombic:-24.6826
Bond Count [?]
All:13
Single:13
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:170.249
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.57
LogP (Chemaxon):0.62

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Descriptor Annotations

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