ethyl 2-(ethoxymethyl)pentanoate

C10H20O3 — CID 140987301

IUPACethyl 2-(ethoxymethyl)pentanoate
SMILESCCCC(COCC)C(=O)OCC
InChIInChI=1S/C10H20O3/c1-4-7-9(8-12-5-2)10(11)13-6-3/h9H,4-8H2,1-3H3
InChIKeyLALIUQWYOQXCDQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.00
Rot. Bonds7

About ethyl 2-(ethoxymethyl)pentanoate

ethyl 2-(ethoxymethyl)pentanoate (PubChem CID 140987301) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-(ethoxymethyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxymethyl)pentanoate
PubChem CID140987301
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl 2-(ethoxymethyl)pentanoate
SMILESCCCC(COCC)C(=O)OCC
InChIInChI=1S/C10H20O3/c1-4-7-9(8-12-5-2)10(11)13-6-3/h9H,4-8H2,1-3H3
InChIKeyLALIUQWYOQXCDQ-UHFFFAOYSA-N
XLogP2.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(methoxymethyl)pentanoate
CID 141084723
ethene;ethyl 2-propylpentanoate
CID 160741230
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
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
diethyl 2-propylbutanedioate;N-ethylethanamine
CID 174714247
tert-butyl 2-(ethoxymethyl)-6-methylheptanoate
CID 139783228
ethyl 2-[[formyl(methyl)amino]methyl]pentanoate
CID 59611373
1-ethoxypentan-2-amine
CID 62042543
1-ethoxypentan-2-ol
CID 21201051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxymethyl)pentanoate?
The IUPAC name of ethyl 2-(ethoxymethyl)pentanoate (CID 140987301) is ethyl 2-(ethoxymethyl)pentanoate.
What is the SMILES notation for ethyl 2-(ethoxymethyl)pentanoate?
The canonical SMILES for ethyl 2-(ethoxymethyl)pentanoate is CCCC(COCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxymethyl)pentanoate?
The InChIKey is LALIUQWYOQXCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-7-9(8-12-5-2)10(11)13-6-3/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(ethoxymethyl)pentanoate?
ethyl 2-(ethoxymethyl)pentanoate has a molecular weight of 188.27 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxymethyl)pentanoate is sourced from PubChem (CID 140987301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).