ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate

C12H24O4 — CID 83042580

IUPACethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(O)(CC)COC
InChIInChI=1S/C12H24O4/c1-5-8-10(11(13)16-7-3)12(14,6-2)9-15-4/h10,14H,5-9H2,1-4H3
InChIKeyGPNPFSXULKLXKA-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.75
Rot. Bonds8

About ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate

ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate (PubChem CID 83042580) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate
PubChem CID83042580
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Nameethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(O)(CC)COC
InChIInChI=1S/C12H24O4/c1-5-8-10(11(13)16-7-3)12(14,6-2)9-15-4/h10,14H,5-9H2,1-4H3
InChIKeyGPNPFSXULKLXKA-UHFFFAOYSA-N
XLogP1.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethyl-3-hydroxy-2-propylheptanoate
CID 83043578
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
ethyl 2-(methoxymethyl)pentanoate
CID 141084723
ethyl 2-fluoro-4-methoxy-3,3-dimethylbutanoate
CID 170098763
ethyl 2-[1-(4-ethylphenyl)-1-hydroxyethyl]pentanoate
CID 83042890
ethyl 2-(1-hydroxy-1-pyridin-4-ylethyl)pentanoate
CID 83042470
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
CID 115997209
butyl 3,3-dimethyl-2-propylpentanoate
CID 174689117
ethyl 2-(2-amino-2-ethylbutoxy)pentanoate
CID 106940048
ethyl 4-ethyl-3-ethynyl-4-hydroxyhexanoate
CID 24894734
ethyl 2,3-diethyl-3-hydroxypent-4-enoate
CID 66037869
ethyl 2-(methoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 23297176

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate?
The IUPAC name of ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate (CID 83042580) is ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate?
The canonical SMILES for ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate is CCCC(C(=O)OCC)C(O)(CC)COC.
What is the InChIKey of ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate?
The InChIKey is GPNPFSXULKLXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-8-10(11(13)16-7-3)12(14,6-2)9-15-4/h10,14H,5-9H2,1-4H3.
What are the key properties of ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate?
ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate has a molecular weight of 232.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate is sourced from PubChem (CID 83042580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).