Chemical ID: 6637531

CC(CCC(C)O)CC1CCCO1
Chemical ID:
6637531
Name [?]:
5-methyl-6-tetrahydrofuran-2-yl-hexan-2-ol
SMILES [?]:
CC(CCC(C)O)CC1CCCO1
InChi [?]:
InChI=1/C11H22O2/c1-9(5-6-10(2)12)8-11-4-3-7-13-11/h9-12H,3-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,6,11,10,3,4,12,8,2,5,9,7,13/rA:13cCCCCCCOCCCCCO/rB:s1;s2;s3;s4;s5;s5;s2;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H22O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:3
ZAP Information [?]
Total:6.76456
Area:380.369
Solvation:-2.74466
Coulombic:-25.3144
Bond Count [?]
All:13
Single:13
Double:0
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:186.291
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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