methyl 5,7-dihydroxynonanoate

C10H20O4 — CID 143918618

IUPACmethyl 5,7-dihydroxynonanoate
SMILESCCC(O)CC(O)CCCC(=O)OC
InChIInChI=1S/C10H20O4/c1-3-8(11)7-9(12)5-4-6-10(13)14-2/h8-9,11-12H,3-7H2,1-2H3
InChIKeyVXUTWEFLPKROEE-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.85
Rot. Bonds7

About methyl 5,7-dihydroxynonanoate

methyl 5,7-dihydroxynonanoate (PubChem CID 143918618) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methyl 5,7-dihydroxynonanoate.

Molecular Properties

Compound Namemethyl 5,7-dihydroxynonanoate
PubChem CID143918618
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethyl 5,7-dihydroxynonanoate
SMILESCCC(O)CC(O)CCCC(=O)OC
InChIInChI=1S/C10H20O4/c1-3-8(11)7-9(12)5-4-6-10(13)14-2/h8-9,11-12H,3-7H2,1-2H3
InChIKeyVXUTWEFLPKROEE-UHFFFAOYSA-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 5,7-dihydroxyheptanoate
CID 123290947
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl (3S,5S)-3,5-dihydroxynonanoate
CID 101496571
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 5-hydroxydec-7-enoate
CID 175764045
methyl (12R)-9,10,12-trihydroxyoctadecanoate
CID 164820863
methyl 5-chloroheptanoate
CID 12772132
methyl (5S)-5-fluorooctadecanoate
CID 102586214
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dihydroxynonanoate?
The IUPAC name of methyl 5,7-dihydroxynonanoate (CID 143918618) is methyl 5,7-dihydroxynonanoate.
What is the SMILES notation for methyl 5,7-dihydroxynonanoate?
The canonical SMILES for methyl 5,7-dihydroxynonanoate is CCC(O)CC(O)CCCC(=O)OC.
What is the InChIKey of methyl 5,7-dihydroxynonanoate?
The InChIKey is VXUTWEFLPKROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-8(11)7-9(12)5-4-6-10(13)14-2/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of methyl 5,7-dihydroxynonanoate?
methyl 5,7-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 5,7-dihydroxynonanoate is sourced from PubChem (CID 143918618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).