Chemical ID: 5286022

CC(CCCC(C)(C)O)CCO
Chemical ID:
5286022
Name [?]:
3,7-dimethyloctane-1,7-diol
SMILES [?]:
CC(CCCC(C)(C)O)CCO
InChi [?]:
InChI=1/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,8,4,3,10,5,11,2,6,12,9/E:(2,3)/rA:12cCCCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s6;s6;s2;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H22O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.85949
Area:380.197
Solvation:-2.64543
Coulombic:-34.5033
Bond Count [?]
All:11
Single:11
Double:0
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:174.28
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.18
LogP (Chemaxon):1.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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