Chemical ID: 4675636

CCCCC#CC=CCOC(=O)C
Chemical ID:
4675636
Name [?]:
non-2-en-4-ynyl acetate
SMILES [?]:
CCCCC#CC=CCOC(=O)C
InChi [?]:
InChI=1/C11H16O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h8-9H,3-5,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,3,4,5,6,7,8,9,11,12,10/rA:13nCCCCCCCCCOCOC/rB:s1;s2;s3;s4;t5;s6;w7;s8;s9;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:8.56246
Area:416.787
Solvation:-1.85722
Coulombic:-19.3179
Bond Count [?]
All:12
Single:9
Double:2
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:180.244
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.31
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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