methyl 3,7,9-trihydroxydecanoate

C11H22O5 — CID 170990500

IUPACmethyl 3,7,9-trihydroxydecanoate
SMILESCOC(=O)CC(O)CCCC(O)CC(C)O
InChIInChI=1S/C11H22O5/c1-8(12)6-9(13)4-3-5-10(14)7-11(15)16-2/h8-10,12-14H,3-7H2,1-2H3
InChIKeyUWQLHKWJRDOSCL-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.21
Rot. Bonds8

About methyl 3,7,9-trihydroxydecanoate

methyl 3,7,9-trihydroxydecanoate (PubChem CID 170990500) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is methyl 3,7,9-trihydroxydecanoate.

Molecular Properties

Compound Namemethyl 3,7,9-trihydroxydecanoate
PubChem CID170990500
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namemethyl 3,7,9-trihydroxydecanoate
SMILESCOC(=O)CC(O)CCCC(O)CC(C)O
InChIInChI=1S/C11H22O5/c1-8(12)6-9(13)4-3-5-10(14)7-11(15)16-2/h8-10,12-14H,3-7H2,1-2H3
InChIKeyUWQLHKWJRDOSCL-UHFFFAOYSA-N
XLogP0.21
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3,7,9-trihydroxydecanoate?
The IUPAC name of methyl 3,7,9-trihydroxydecanoate (CID 170990500) is methyl 3,7,9-trihydroxydecanoate.
What is the SMILES notation for methyl 3,7,9-trihydroxydecanoate?
The canonical SMILES for methyl 3,7,9-trihydroxydecanoate is COC(=O)CC(O)CCCC(O)CC(C)O.
What is the InChIKey of methyl 3,7,9-trihydroxydecanoate?
The InChIKey is UWQLHKWJRDOSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-8(12)6-9(13)4-3-5-10(14)7-11(15)16-2/h8-10,12-14H,3-7H2,1-2H3.
What are the key properties of methyl 3,7,9-trihydroxydecanoate?
methyl 3,7,9-trihydroxydecanoate has a molecular weight of 234.29 g/mol, XLogP of 0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,7,9-trihydroxydecanoate is sourced from PubChem (CID 170990500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).