Chemical ID: 4967013

CC(C)CCOCC(COCCC(C)C)O
Chemical ID:
4967013
Name [?]:
1,3-diisopentyloxypropan-2-ol
SMILES [?]:
CC(C)CCOCC(COCCC(C)C)O
InChi [?]:
InChI=1/C13H28O3/c1-11(2)5-7-15-9-13(14)10-16-8-6-12(3)4/h11-14H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,4,12,5,11,7,9,2,13,8,16,6,10/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(15,16)/rA:16nCCCCCOCCCOCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s13;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H28O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.55673
Area:487.994
Solvation:-5.64312
Coulombic:-33.0893
Bond Count [?]
All:15
Single:15
Double:0
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:232.36
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.87
LogP (Chemaxon):2.55

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Descriptor Annotations

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