Chemical ID: 4958433

CCOC(=O)C(CO)C1CCCC1
Chemical ID:
4958433
Name [?]:
ethyl 2-cyclopentyl-3-hydroxy-propanoate
SMILES [?]:
CCOC(=O)C(CO)C1CCCC1
InChi [?]:
InChI=1/C10H18O3/c1-2-13-10(12)9(7-11)8-5-3-4-6-8/h8-9,11H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,12,10,13,7,9,6,4,8,5,3/E:(3,4)(5,6)/rA:13cCCOCOCCOCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s6;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H18O3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.15528
Area:363.511
Solvation:-2.93248
Coulombic:-34.9697
Bond Count [?]
All:13
Single:12
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:186.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.95
LogP (Chemaxon):1.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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