Chemical ID: 5254468

COCC(C(OC)OC)O
Chemical ID:
5254468
Name [?]:
1,1,3-trimethoxypropan-2-ol
SMILES [?]:
COCC(C(OC)OC)O
InChi [?]:
InChI=1/C6H14O4/c1-8-4-5(7)6(9-2)10-3/h5-7H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,9,3,4,5,10,2,6,8/E:(2,3)(9,10)/rA:10cCOCCCOCOCO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H14O4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:2.7871
Area:318.874
Solvation:-5.18475
Coulombic:-41.4855
Bond Count [?]
All:9
Single:9
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:150.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.86
LogP (Chemaxon):-0.35

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Experimental Annotations

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Descriptor Annotations

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