Chemical ID: 5129974

C1CC2CC1CC23OCCO3
Chemical ID:
5129974
Name [?]:
None
SMILES [?]:
C1CC2CC1CC23OCCO3
InChi [?]:
InChI=1/C9H14O2/c1-2-8-5-7(1)6-9(8)10-3-4-11-9/h7-8H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,9,10,4,6,5,3,7,8,11/E:(3,4)(10,11)/rA:11cCCCCCCCOCCO/rB:s1;s2;s3;s1s4;s5;s3s6;s7;s8;s9;s7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H14O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:2
ZAP Information [?]
Total:5.15791
Area:292.151
Solvation:-2.14588
Coulombic:-17.7685
Bond Count [?]
All:13
Single:13
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:154.206
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.48
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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