Chemical ID: 6405917

CCCCCCC(CCCCc1ccccc1)C(=O)O
Chemical ID:
6405917
Name [?]:
2-(4-phenylbutyl)octanoic acid
SMILES [?]:
CCCCCCC(CCCCc1ccccc1)C(=O)O
InChi [?]:
InChI=1/C18H28O2/c1-2-3-4-8-14-17(18(19)20)15-10-9-13-16-11-6-5-7-12-16/h5-7,11-12,17H,2-4,8-10,13-15H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,15,14,16,5,10,9,13,17,11,6,8,12,7,18,19,20/E:(6,7)(11,12)(19,20)/rA:20cCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s7;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H28O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.7629
Area:540.963
Solvation:-1.76119
Coulombic:-30.5411
Bond Count [?]
All:20
Single:16
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:276.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.46
LogP (Chemaxon):5.81

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