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Chemical ID: 6656970

COC(=O)CCCCCc1ccc(cc1)Cc2ccc(cc2)CCCCC(=O)O

Chemical ID:

6656970

Name [?]:

5-[4-[[4-(5-methoxycarbonylpentyl)phenyl]methyl]phenyl]pentanoic acid

SMILES [?]:

COC(=O)CCCCCc1ccc(cc1)Cc2ccc(cc2)CCCCC(=O)O

InChi [?]:

InChI=1/C25H32O4/c1-29-25(28)10-4-2-3-7-20-11-15-22(16-12-20)19-23-17-13-21(14-18-23)8-5-6-9-24(26)27/h11-18H,2-10,19H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,7,8,6,24,25,9,23,26,5,11,15,19,21,12,14,18,22,16,10,20,13,17,27,3,28,29,4,2/E:(11,12)(13,14)(15,16)(17,18)(26,27)/rA:29nCOCOCCCCCCCCCCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	14.0644
Area:	718.282
Solvation:	-3.89262
Coulombic:	-47.2035

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	14
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	396.519
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.35
LogP (Chemaxon):	6.19

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value