ethyl 2-(methoxymethyl)pentanoate

C9H18O3 — CID 141084723

IUPACethyl 2-(methoxymethyl)pentanoate
SMILESCCCC(COC)C(=O)OCC
InChIInChI=1S/C9H18O3/c1-4-6-8(7-11-3)9(10)12-5-2/h8H,4-7H2,1-3H3
InChIKeySDYXCFJACOHIPE-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.61
Rot. Bonds6

About ethyl 2-(methoxymethyl)pentanoate

ethyl 2-(methoxymethyl)pentanoate (PubChem CID 141084723) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)pentanoate
PubChem CID141084723
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameethyl 2-(methoxymethyl)pentanoate
SMILESCCCC(COC)C(=O)OCC
InChIInChI=1S/C9H18O3/c1-4-6-8(7-11-3)9(10)12-5-2/h8H,4-7H2,1-3H3
InChIKeySDYXCFJACOHIPE-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
ethene;ethyl 2-propylpentanoate
CID 160741230
2-(methoxymethyl)pentanoate
CID 19753396
N-ethyl-2-(methoxymethyl)pentanamide
CID 140571323
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
cyclohexane;diethyl 2-(methoxymethyl)propanedioate
CID 174682479
ethyl 2-propyl-5-sulfanylidenehexanoate
CID 174809419
2-propylpentanoyl 2-propylpentanoate
CID 10923624
ethyl 2-ethylbutanoate;λ2-stannane
CID 175348208
ethyl 2-propyloct-5-enoate
CID 140550038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)pentanoate?
The IUPAC name of ethyl 2-(methoxymethyl)pentanoate (CID 141084723) is ethyl 2-(methoxymethyl)pentanoate.
What is the SMILES notation for ethyl 2-(methoxymethyl)pentanoate?
The canonical SMILES for ethyl 2-(methoxymethyl)pentanoate is CCCC(COC)C(=O)OCC.
What is the InChIKey of ethyl 2-(methoxymethyl)pentanoate?
The InChIKey is SDYXCFJACOHIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-6-8(7-11-3)9(10)12-5-2/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(methoxymethyl)pentanoate?
ethyl 2-(methoxymethyl)pentanoate has a molecular weight of 174.24 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)pentanoate is sourced from PubChem (CID 141084723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).