Chemical ID: 6491521

CCCCCCCCOc1ccccc1C(=O)OC
Chemical ID:
6491521
Name [?]:
methyl 2-octoxybenzoate
SMILES [?]:
CCCCCCCCOc1ccccc1C(=O)OC
InChi [?]:
InChI=1/C16H24O3/c1-3-4-5-6-7-10-13-19-15-12-9-8-11-14(15)16(17)18-2/h8-9,11-12H,3-7,10,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,3,4,5,6,13,12,7,14,11,8,15,10,16,17,18,9/rA:19nCCCCCCCCOCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.78595
Area:516.939
Solvation:-3.13752
Coulombic:-29.2488
Bond Count [?]
All:19
Single:15
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:264.36
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.5
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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