Chemical ID: 4955591

CC(C)C1OCCCCCO1
Chemical ID:
4955591
Name [?]:
2-isopropyl-1,3-dioxocane
SMILES [?]:
CC(C)C1OCCCCCO1
InChi [?]:
InChI=1/C9H18O2/c1-8(2)9-10-6-4-3-5-7-11-9/h8-9H,3-7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,7,9,6,10,2,4,5,11/E:(1,2)(4,5)(6,7)(10,11)/rA:11nCCCCOCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s4s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.23105
Area:312.47
Solvation:-2.5807
Coulombic:-17.3803
Bond Count [?]
All:11
Single:11
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:158.238
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.95
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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