6FH

(6~{S})-6-methyloctanoic acid

Created: 2016-04-13
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count1
Bond Count28
Aromatic Bond Count0
2D diagram of 6FH

Chemical Component Summary

Name(6~{S})-6-methyloctanoic acid
Systematic Name (OpenEye OEToolkits)(6~{S})-6-methyloctanoic acid
FormulaC9 H18 O2
Molecular Weight158.238
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC[CH](C)CCCCC(O)=O
SMILESOpenEye OEToolkits2.0.5CCC(C)CCCCC(=O)O
Canonical SMILESCACTVS3.385 CC[C@H](C)CCCCC(O)=O
Canonical SMILESOpenEye OEToolkits2.0.5 CC[C@H](C)CCCCC(=O)O
InChIInChI1.03 InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyInChI1.03 GPOPHQSTNHUENT-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 5312346