Chemical ID: 4957635

CCCCCOC(=O)C(C)CCC
Chemical ID:
4957635
Name [?]:
pentyl 2-methylpentanoate
SMILES [?]:
CCCCCOC(=O)C(C)CCC
InChi [?]:
InChI=1/C11H22O2/c1-4-6-7-9-13-11(12)10(3)8-5-2/h10H,4-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,10,2,12,3,4,11,5,9,7,8,6/rA:13cCCCCCOCOCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s9;s11;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H22O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:9.03699
Area:414.696
Solvation:-1.3304
Coulombic:-20.5693
Bond Count [?]
All:12
Single:11
Double:1
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:186.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.84
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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