ethoxyethane;2-(ethoxymethyl)-5-methylfuran

C12H22O3 — CID 118958545

IUPACethoxyethane;2-(ethoxymethyl)-5-methylfuran
SMILESCCOCC.CCOCc1ccc(C)o1
InChIInChI=1S/C8H12O2.C4H10O/c1-3-9-6-8-5-4-7(2)10-8;1-3-5-4-2/h4-5H,3,6H2,1-2H3;3-4H2,1-2H3
InChIKeyLADXFVQCWWLNSJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.17
Rot. Bonds5

About ethoxyethane;2-(ethoxymethyl)-5-methylfuran

ethoxyethane;2-(ethoxymethyl)-5-methylfuran (PubChem CID 118958545) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethoxyethane;2-(ethoxymethyl)-5-methylfuran.

Molecular Properties

Compound Nameethoxyethane;2-(ethoxymethyl)-5-methylfuran
PubChem CID118958545
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethoxyethane;2-(ethoxymethyl)-5-methylfuran
SMILESCCOCC.CCOCc1ccc(C)o1
InChIInChI=1S/C8H12O2.C4H10O/c1-3-9-6-8-5-4-7(2)10-8;1-3-5-4-2/h4-5H,3,6H2,1-2H3;3-4H2,1-2H3
InChIKeyLADXFVQCWWLNSJ-UHFFFAOYSA-N
XLogP3.17
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(octoxymethyl)furan
CID 21314380
2-tert-butyl-5-(ethoxymethyl)furan
CID 59332651
N-methyl-2-[(5-methylfuran-2-yl)methoxy]acetohydrazide
CID 116845409
N-[(5-methylfuran-2-yl)methoxy]methanamine
CID 117126795
3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine
CID 44720293
5-(ethoxymethyl)furan-2-carboxylic acid
CID 4682007
(5-methylfuran-2-yl)methyl formate
CID 58489131
chromium;formaldehyde;2-(methoxymethyl)-5-methylfuran
CID 173392423
(NE)-N-[1-[5-(ethoxymethyl)furan-2-yl]ethylidene]hydroxylamine
CID 10559364
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(ethoxymethyl)-5-methylfuran?
The IUPAC name of ethoxyethane;2-(ethoxymethyl)-5-methylfuran (CID 118958545) is ethoxyethane;2-(ethoxymethyl)-5-methylfuran.
What is the SMILES notation for ethoxyethane;2-(ethoxymethyl)-5-methylfuran?
The canonical SMILES for ethoxyethane;2-(ethoxymethyl)-5-methylfuran is CCOCC.CCOCc1ccc(C)o1.
What is the InChIKey of ethoxyethane;2-(ethoxymethyl)-5-methylfuran?
The InChIKey is LADXFVQCWWLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C4H10O/c1-3-9-6-8-5-4-7(2)10-8;1-3-5-4-2/h4-5H,3,6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-(ethoxymethyl)-5-methylfuran?
ethoxyethane;2-(ethoxymethyl)-5-methylfuran has a molecular weight of 214.30 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(ethoxymethyl)-5-methylfuran is sourced from PubChem (CID 118958545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).