Chemical ID: 5087495

C1CCCC=CCCCCCCCC(=O)CCC1
Chemical ID:
5087495
Name [?]:
cycloheptadec-9-en-1-one
SMILES [?]:
C1CCCC=CCCCCCCCC(=O)CCC1
InChi [?]:
InChI=1/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2
InChi Info:
AuxInfo=1/0/N:5,6,4,7,3,8,2,9,1,10,18,11,17,12,16,13,14,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:18nCCCCCCCCCCCCCCOCCC/rB:s1;s2;s3;s4;w5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s14;s16;s1s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H30O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.66868
Area:455.482
Solvation:-1.71836
Coulombic:-10.6188
Bond Count [?]
All:18
Single:16
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:250.419
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.4
LogP (Chemaxon):5.63

Name Annotations

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Descriptor Annotations

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