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Chemical ID: 4958433
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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