Chemical ID: 6694044

CCCCCCCCCCC#CCCCCCC(=O)O
Chemical ID:
6694044
Name [?]:
octadec-7-ynoic acid
SMILES [?]:
CCCCCCCCCCC#CCCCCCC(=O)O
InChi [?]:
InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,13-17H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/E:(19,20)/rA:20nCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;t11;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H32O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:13.2357
Area:609.371
Solvation:-1.99862
Coulombic:-29.2733
Bond Count [?]
All:19
Single:17
Double:1
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:280.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.02
LogP (Chemaxon):5.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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