Chemical ID: 6918073

CC1C(CC(O1)C[N+](C)(C)C)O
Chemical ID:
6918073
Name [?]:
(4-hydroxy-5-methyl-tetrahydrofuran-2-yl)methyl-trimethyl-ammonium
SMILES [?]:
CC1C(CC(O1)C[N+](C)(C)C)O
InChi [?]:
InChI=1/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,9,10,11,4,7,2,5,3,8,12,6/E:(2,3,4)/CRV:10+1/rA:12cCCCCCOCN+CCCO/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;s8;s8;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H20NO2+
All Atoms:32
Heavy Atoms:12
Chiral Atoms:3
ZAP Information [?]
Total:-20.9567
Area:343.095
Solvation:-29.5341
Coulombic:-1.87374
Bond Count [?]
All:12
Single:12
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-1.43
LogP (Chemaxon):-4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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