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

C14H20O4 — CID 79083634

IUPACmethyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCC2CCCC2)o1
InChIInChI=1S/C14H20O4/c1-10(17-9-11-5-3-4-6-11)12-7-8-13(18-12)14(15)16-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyWHRIDLRZFYNOJL-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.33
Rot. Bonds5

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

methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate (PubChem CID 79083634) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
PubChem CID79083634
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Namemethyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCC2CCCC2)o1
InChIInChI=1S/C14H20O4/c1-10(17-9-11-5-3-4-6-11)12-7-8-13(18-12)14(15)16-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyWHRIDLRZFYNOJL-UHFFFAOYSA-N
XLogP3.33
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595
methyl 5-[1-[cyclobutylmethyl(ethyl)amino]ethyl]furan-2-carboxylate
CID 107399553
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
CID 82003998
methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
CID 106446592
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]furan-2-carboxylate
CID 79091127
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686
methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate
CID 79085101
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753
methyl 5-[1-[(4-ethylcyclohexyl)-methylamino]ethyl]furan-2-carboxylate
CID 79084990

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate (CID 79083634) is methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)OCC2CCCC2)o1.
What is the InChIKey of methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate?
The InChIKey is WHRIDLRZFYNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(17-9-11-5-3-4-6-11)12-7-8-13(18-12)14(15)16-2/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 79083634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).