Chemical ID: 6659287

COC(=O)C1(CCCCC1)O
Chemical ID:
6659287
Name [?]:
methyl 1-hydroxycyclohexane-1-carboxylate
SMILES [?]:
COC(=O)C1(CCCCC1)O
InChi [?]:
InChI=1/C8H14O3/c1-11-7(9)8(10)5-3-2-4-6-8/h10H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,9,6,10,3,5,4,11,2/E:(3,4)(5,6)/rA:11nCOCOCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s5;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H14O3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.84211
Area:312.954
Solvation:-1.98174
Coulombic:-37.6938
Bond Count [?]
All:11
Single:10
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:158.195
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.79
LogP (Chemaxon):0.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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