methyl (3S,5S)-3,5-dihydroxynonanoate

C10H20O4 — CID 101496571

IUPACmethyl (3S,5S)-3,5-dihydroxynonanoate
SMILESCCCC[C@H](O)C[C@H](O)CC(=O)OC
InChIInChI=1S/C10H20O4/c1-3-4-5-8(11)6-9(12)7-10(13)14-2/h8-9,11-12H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyIKZJWSLSAQLJRR-IUCAKERBSA-N
MW204.27 g/mol
LogP0.85
Rot. Bonds7

About methyl (3S,5S)-3,5-dihydroxynonanoate

methyl (3S,5S)-3,5-dihydroxynonanoate (PubChem CID 101496571) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl (3S,5S)-3,5-dihydroxynonanoate.

Molecular Properties

Compound Namemethyl (3S,5S)-3,5-dihydroxynonanoate
PubChem CID101496571
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl (3S,5S)-3,5-dihydroxynonanoate
SMILESCCCC[C@H](O)C[C@H](O)CC(=O)OC
InChIInChI=1S/C10H20O4/c1-3-4-5-8(11)6-9(12)7-10(13)14-2/h8-9,11-12H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyIKZJWSLSAQLJRR-IUCAKERBSA-N
XLogP0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188
ethyl (3R,5R)-3,5-dihydroxydecanoate
CID 121009238
(5R,7S)-undecane-5,7-diol
CID 10899409
methyl (E)-3-hydroxyhexadec-7-enoate
CID 24788055
methyl 5,7-dihydroxynonanoate
CID 143918618
methyl (3R)-3-hydroxy-5-methylhexanoate
CID 10920813
(5S,7R)-dodecane-5,7-diol
CID 12060471
(3R,5R)-3,5-dihydroxydocosanoic acid
CID 102203188
decane-4,6-diol;scandium
CID 164810305
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5S)-3,5-dihydroxynonanoate?
The IUPAC name of methyl (3S,5S)-3,5-dihydroxynonanoate (CID 101496571) is methyl (3S,5S)-3,5-dihydroxynonanoate.
What is the SMILES notation for methyl (3S,5S)-3,5-dihydroxynonanoate?
The canonical SMILES for methyl (3S,5S)-3,5-dihydroxynonanoate is CCCC[C@H](O)C[C@H](O)CC(=O)OC.
What is the InChIKey of methyl (3S,5S)-3,5-dihydroxynonanoate?
The InChIKey is IKZJWSLSAQLJRR-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-4-5-8(11)6-9(12)7-10(13)14-2/h8-9,11-12H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of methyl (3S,5S)-3,5-dihydroxynonanoate?
methyl (3S,5S)-3,5-dihydroxynonanoate has a molecular weight of 204.27 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5S)-3,5-dihydroxynonanoate is sourced from PubChem (CID 101496571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).