ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate

C12H22O5 — CID 58810958

IUPACethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate
SMILESCCOC(=O)CCC(CO)C1OCC(C)CO1
InChIInChI=1S/C12H22O5/c1-3-15-11(14)5-4-10(6-13)12-16-7-9(2)8-17-12/h9-10,12-13H,3-8H2,1-2H3
InChIKeyQTTJZNKJRIPZOM-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.95
Rot. Bonds6

About ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate

ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate (PubChem CID 58810958) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate
PubChem CID58810958
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Nameethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate
SMILESCCOC(=O)CCC(CO)C1OCC(C)CO1
InChIInChI=1S/C12H22O5/c1-3-15-11(14)5-4-10(6-13)12-16-7-9(2)8-17-12/h9-10,12-13H,3-8H2,1-2H3
InChIKeyQTTJZNKJRIPZOM-UHFFFAOYSA-N
XLogP0.95
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azane;ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate;5-(5-methyl-1,3-dioxan-2-yl)oxan-2-one
CID 157399299
ethyl 4-(5-methyl-1,3-dioxan-2-yl)-5-oxopentanoate
CID 58810954
ethyl 4-(4-methyloxolan-3-yl)oxypentanoate
CID 91483380
diethyl 4-acetylheptanedioate
CID 15669145
(2S)-5-ethoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107039349
ethyl 4-chloro-4-(oxan-3-yl)butanoate
CID 103440101
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
diethyl 4-iodoheptanedioate
CID 102577942
ethyl 6-[(2R,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392283
ethyl 6-[(2S,5S)-2,5-dimethylmorpholin-4-yl]hexanoate
CID 95392282
diethyl (2R)-2-acetylpentanedioate
CID 6993985

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate?
The IUPAC name of ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate (CID 58810958) is ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate.
What is the SMILES notation for ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate?
The canonical SMILES for ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate is CCOC(=O)CCC(CO)C1OCC(C)CO1.
What is the InChIKey of ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate?
The InChIKey is QTTJZNKJRIPZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-3-15-11(14)5-4-10(6-13)12-16-7-9(2)8-17-12/h9-10,12-13H,3-8H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate?
ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate has a molecular weight of 246.30 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-4-(5-methyl-1,3-dioxan-2-yl)pentanoate is sourced from PubChem (CID 58810958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).