Chemical ID: 5137195

CC12CCCCCCC1O2
Chemical ID:
5137195
Name [?]:
1-methyl-9-oxabicyclo[6.1.0]nonane
SMILES [?]:
CC12CCCCCCC1O2
InChi [?]:
InChI=1/C9H16O/c1-9-7-5-3-2-4-6-8(9)10-9/h8H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,3,9,2,10/rA:10cCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s2s8;s2s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:2
ZAP Information [?]
Total:5.28662
Area:288.461
Solvation:-1.9249
Coulombic:-9.41014
Bond Count [?]
All:11
Single:11
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:140.223
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.66
LogP (Chemaxon):1.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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