methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate

C14H20O5 — CID 79084595

IUPACmethyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCC2CCCCO2)o1
InChIInChI=1S/C14H20O5/c1-10(18-9-11-5-3-4-8-17-11)12-6-7-13(19-12)14(15)16-2/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyWKSVTIJVLLDWLD-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.71
Rot. Bonds5

About methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate (PubChem CID 79084595) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
PubChem CID79084595
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCC2CCCCO2)o1
InChIInChI=1S/C14H20O5/c1-10(18-9-11-5-3-4-8-17-11)12-6-7-13(19-12)14(15)16-2/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyWKSVTIJVLLDWLD-UHFFFAOYSA-N
XLogP2.71
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
(2R)-N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 124835398
2-[4-[2-[2-(oxan-2-ylmethoxy)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255675
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
1-(4-methoxyphenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798905
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998
methyl 5-[[3-(oxolan-2-ylmethoxy)propylamino]methyl]furan-2-carboxylate
CID 43232042
methyl (2S)-2-[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]-3-phenylpropanoate
CID 95156285
5-(1-chloroethyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 82109059
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
2-methoxy-5-[[[(2R)-2-[[(2R)-oxan-2-yl]methoxy]propanoyl]amino]methyl]benzoic acid
CID 125153162

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate (CID 79084595) is methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)OCC2CCCCO2)o1.
What is the InChIKey of methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate?
The InChIKey is WKSVTIJVLLDWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-10(18-9-11-5-3-4-8-17-11)12-6-7-13(19-12)14(15)16-2/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).