ethyl 4-hydroxy-6-methoxy-6-methylheptanoate

C11H22O4 — CID 106676235

IUPACethyl 4-hydroxy-6-methoxy-6-methylheptanoate
SMILESCCOC(=O)CCC(O)CC(C)(C)OC
InChIInChI=1S/C11H22O4/c1-5-15-10(13)7-6-9(12)8-11(2,3)14-4/h9,12H,5-8H2,1-4H3
InChIKeyFNWQQCWPRIBLCS-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.51
Rot. Bonds7

About ethyl 4-hydroxy-6-methoxy-6-methylheptanoate

ethyl 4-hydroxy-6-methoxy-6-methylheptanoate (PubChem CID 106676235) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is ethyl 4-hydroxy-6-methoxy-6-methylheptanoate.

Molecular Properties

Compound Nameethyl 4-hydroxy-6-methoxy-6-methylheptanoate
PubChem CID106676235
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Nameethyl 4-hydroxy-6-methoxy-6-methylheptanoate
SMILESCCOC(=O)CCC(O)CC(C)(C)OC
InChIInChI=1S/C11H22O4/c1-5-15-10(13)7-6-9(12)8-11(2,3)14-4/h9,12H,5-8H2,1-4H3
InChIKeyFNWQQCWPRIBLCS-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-hydroxy-6,6-dimethylheptanoate
CID 62966009
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
ethyl 4-hydroxy-6-methoxy-4,6-dimethylheptanoate
CID 66324247
1-O-ethyl 6-O-(3-methoxy-3-methylbutyl) hexanedioate
CID 71397391
ethyl 5-hydroxy-11-methoxy-7,11-dimethyl-3-oxododecanoate
CID 13390964
sodium;ethyl 13,14-dihydroxytetradecanoate;hydride
CID 173047367
diethyl 4-iodoheptanedioate
CID 102577942
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl 4-(trifluoromethyl)heptanedioate
CID 102090199
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
1-O-tert-butyl 5-O-ethyl 2-[amino(hydroxy)methyl]pentanedioate
CID 87467691
ethyl 2-ethyl-3-hydroxy-5-methoxy-5-methylhexanoate
CID 106676381

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-6-methoxy-6-methylheptanoate?
The IUPAC name of ethyl 4-hydroxy-6-methoxy-6-methylheptanoate (CID 106676235) is ethyl 4-hydroxy-6-methoxy-6-methylheptanoate.
What is the SMILES notation for ethyl 4-hydroxy-6-methoxy-6-methylheptanoate?
The canonical SMILES for ethyl 4-hydroxy-6-methoxy-6-methylheptanoate is CCOC(=O)CCC(O)CC(C)(C)OC.
What is the InChIKey of ethyl 4-hydroxy-6-methoxy-6-methylheptanoate?
The InChIKey is FNWQQCWPRIBLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-5-15-10(13)7-6-9(12)8-11(2,3)14-4/h9,12H,5-8H2,1-4H3.
What are the key properties of ethyl 4-hydroxy-6-methoxy-6-methylheptanoate?
ethyl 4-hydroxy-6-methoxy-6-methylheptanoate has a molecular weight of 218.29 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-6-methoxy-6-methylheptanoate is sourced from PubChem (CID 106676235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).