ethyl 3,5-dihydroxy-7-methyloctanoate

C11H22O4 — CID 16733776

IUPACethyl 3,5-dihydroxy-7-methyloctanoate
SMILESCCOC(=O)CC(O)CC(O)CC(C)C
InChIInChI=1S/C11H22O4/c1-4-15-11(14)7-10(13)6-9(12)5-8(2)3/h8-10,12-13H,4-7H2,1-3H3
InChIKeyHYGCJYBJFAAPDW-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.10
Rot. Bonds7

About ethyl 3,5-dihydroxy-7-methyloctanoate

ethyl 3,5-dihydroxy-7-methyloctanoate (PubChem CID 16733776) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl 3,5-dihydroxy-7-methyloctanoate.

Molecular Properties

Compound Nameethyl 3,5-dihydroxy-7-methyloctanoate
PubChem CID16733776
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl 3,5-dihydroxy-7-methyloctanoate
SMILESCCOC(=O)CC(O)CC(O)CC(C)C
InChIInChI=1S/C11H22O4/c1-4-15-11(14)7-10(13)6-9(12)5-8(2)3/h8-10,12-13H,4-7H2,1-3H3
InChIKeyHYGCJYBJFAAPDW-UHFFFAOYSA-N
XLogP1.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dihydroxy-7-methyloctanoate?
The IUPAC name of ethyl 3,5-dihydroxy-7-methyloctanoate (CID 16733776) is ethyl 3,5-dihydroxy-7-methyloctanoate.
What is the SMILES notation for ethyl 3,5-dihydroxy-7-methyloctanoate?
The canonical SMILES for ethyl 3,5-dihydroxy-7-methyloctanoate is CCOC(=O)CC(O)CC(O)CC(C)C.
What is the InChIKey of ethyl 3,5-dihydroxy-7-methyloctanoate?
The InChIKey is HYGCJYBJFAAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-15-11(14)7-10(13)6-9(12)5-8(2)3/h8-10,12-13H,4-7H2,1-3H3.
What are the key properties of ethyl 3,5-dihydroxy-7-methyloctanoate?
ethyl 3,5-dihydroxy-7-methyloctanoate has a molecular weight of 218.29 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dihydroxy-7-methyloctanoate is sourced from PubChem (CID 16733776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).