methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate

C14H22O5 — CID 106446592

IUPACmethyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCCOCC(C)C)o1
InChIInChI=1S/C14H22O5/c1-10(2)9-17-7-8-18-11(3)12-5-6-13(19-12)14(15)16-4/h5-6,10-11H,7-9H2,1-4H3
InChIKeyVOKSICHMTHVQAS-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds8

About methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate

methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate (PubChem CID 106446592) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
PubChem CID106446592
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Namemethyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCCOCC(C)C)o1
InChIInChI=1S/C14H22O5/c1-10(2)9-17-7-8-18-11(3)12-5-6-13(19-12)14(15)16-4/h5-6,10-11H,7-9H2,1-4H3
InChIKeyVOKSICHMTHVQAS-UHFFFAOYSA-N
XLogP2.82
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998
5-[1-[2-(2-methoxyethoxy)ethoxy]ethyl]furan-2-carboxylic acid
CID 113426720
methyl 5-[1-(3-pyridin-4-ylpropoxy)ethyl]furan-2-carboxylate
CID 79086279
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
methyl 5-[1-(4-carbamoylphenoxy)ethyl]furan-2-carboxylate
CID 79085923
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate (CID 106446592) is methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)OCCOCC(C)C)o1.
What is the InChIKey of methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate?
The InChIKey is VOKSICHMTHVQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-10(2)9-17-7-8-18-11(3)12-5-6-13(19-12)14(15)16-4/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate?
methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate has a molecular weight of 270.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate is sourced from PubChem (CID 106446592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).