Chemical ID: 3964651

CCCCCC1C(O1)CC=CCCCCCCCC(=O)O
Chemical ID:
3964651
Name [?]:
11-(3-pentyloxiran-2-yl)undec-9-enoic acid
SMILES [?]:
CCCCCC1C(O1)CC=CCCCCCCCC(=O)O
InChi [?]:
InChI=1/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,14,12,15,11,16,4,10,17,5,9,18,6,7,19,20,21,8/E:(19,20)/rA:21cCCCCCCCOCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s6s7;s7;s9;w10;s11;s12;s13;s14;s15;s16;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H32O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:11.9197
Area:617.07
Solvation:-3.50702
Coulombic:-37.6206
Bond Count [?]
All:21
Single:19
Double:2
Rotors:14
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:296.445
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.88
LogP (Chemaxon):4.86

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue