Chemical ID: 4553896

CC1(CC(CCO1)(CCO)O)C
Chemical ID:
4553896
Name [?]:
4-(2-hydroxyethyl)-2,2-dimethyl-tetrahydropyran-4-ol
SMILES [?]:
CC1(CC(CCO1)(CCO)O)C
InChi [?]:
InChI=1/C9H18O3/c1-8(2)7-9(11,3-5-10)4-6-12-8/h10-11H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,8,5,9,6,3,2,4,10,11,7/E:(1,2)/rA:12cCCCCCCOCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s4;s8;s9;s4;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:4.46002
Area:329.589
Solvation:-3.7797
Coulombic:-40.692
Bond Count [?]
All:12
Single:12
Double:0
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:174.237
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.8
LogP (Chemaxon):-0.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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