ethyl 2-(furan-2-ylmethoxy)pentanoate

C12H18O4 — CID 83038819

IUPACethyl 2-(furan-2-ylmethoxy)pentanoate
SMILESCCCC(OCc1ccco1)C(=O)OCC
InChIInChI=1S/C12H18O4/c1-3-6-11(12(13)14-4-2)16-9-10-7-5-8-15-10/h5,7-8,11H,3-4,6,9H2,1-2H3
InChIKeyRYOKTTUXVNWMDN-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.53
Rot. Bonds7

About ethyl 2-(furan-2-ylmethoxy)pentanoate

ethyl 2-(furan-2-ylmethoxy)pentanoate (PubChem CID 83038819) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is ethyl 2-(furan-2-ylmethoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(furan-2-ylmethoxy)pentanoate
PubChem CID83038819
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Nameethyl 2-(furan-2-ylmethoxy)pentanoate
SMILESCCCC(OCc1ccco1)C(=O)OCC
InChIInChI=1S/C12H18O4/c1-3-6-11(12(13)14-4-2)16-9-10-7-5-8-15-10/h5,7-8,11H,3-4,6,9H2,1-2H3
InChIKeyRYOKTTUXVNWMDN-UHFFFAOYSA-N
XLogP2.53
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
2-ethoxy-3-(furan-2-ylmethoxy)propanoic acid
CID 63074632
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
2-(hexan-2-yloxymethyl)furan
CID 141468564
1-(furan-2-ylmethoxy)ethanol
CID 20517704
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
CID 103972824
ethyl 2-(furan-2-ylmethylamino)butanoate
CID 64667944
2-(ethylperoxymethyl)furan
CID 175094388
2-(butan-2-yloxymethyl)furan
CID 118563774
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-ylmethoxy)pentanoate?
The IUPAC name of ethyl 2-(furan-2-ylmethoxy)pentanoate (CID 83038819) is ethyl 2-(furan-2-ylmethoxy)pentanoate.
What is the SMILES notation for ethyl 2-(furan-2-ylmethoxy)pentanoate?
The canonical SMILES for ethyl 2-(furan-2-ylmethoxy)pentanoate is CCCC(OCc1ccco1)C(=O)OCC.
What is the InChIKey of ethyl 2-(furan-2-ylmethoxy)pentanoate?
The InChIKey is RYOKTTUXVNWMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-6-11(12(13)14-4-2)16-9-10-7-5-8-15-10/h5,7-8,11H,3-4,6,9H2,1-2H3.
What are the key properties of ethyl 2-(furan-2-ylmethoxy)pentanoate?
ethyl 2-(furan-2-ylmethoxy)pentanoate has a molecular weight of 226.27 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-ylmethoxy)pentanoate is sourced from PubChem (CID 83038819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).