2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate

C14H22O5 — CID 126732371

IUPAC2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate
SMILESCOC(C)(CC(C)C)c1ccc(C(=O)OCCO)o1
InChIInChI=1S/C14H22O5/c1-10(2)9-14(3,17-4)12-6-5-11(19-12)13(16)18-8-7-15/h5-6,10,15H,7-9H2,1-4H3
InChIKeyKDUXQGGSWQZRRK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.34
Rot. Bonds7

About 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate

2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate (PubChem CID 126732371) has the molecular formula C14H22O5 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate
PubChem CID126732371
Molecular FormulaC14H22O5
Molecular Weight270.33 g/mol
Exact Mass270.15
IUPAC Name2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate
SMILESCOC(C)(CC(C)C)c1ccc(C(=O)OCCO)o1
InChIInChI=1S/C14H22O5/c1-10(2)9-14(3,17-4)12-6-5-11(19-12)13(16)18-8-7-15/h5-6,10,15H,7-9H2,1-4H3
InChIKeyKDUXQGGSWQZRRK-UHFFFAOYSA-N
XLogP2.34
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-(3,3-dimethylbutyl) 2-O-propan-2-yl furan-2,5-dicarboxylate
CID 174191694
bis(6-methylheptyl) furan-2,5-dicarboxylate
CID 126569599
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
5-O-[2-(3-hydroxy-3-methylbutoxy)ethyl] 2-O-propan-2-yl furan-2,5-dicarboxylate
CID 166151626
methyl 5-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 119985233
methyl 5-(6,6,6-trifluoro-2-hydroxyhexan-2-yl)furan-2-carboxylate
CID 106946442
3-methoxypropyl 5-acetylfuran-2-carboxylate
CID 90295960
bis(3,3,5-trimethylhexyl) benzene-1,2-dicarboxylate
CID 71346717
2-(5-bromofuran-2-yl)-2,4-dimethylpentanoic acid
CID 83845206
ethyl 5-(1-hydroxy-2,2-dimethylpropyl)furan-2-carboxylate
CID 59336416
methyl 5-[1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 106278498

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate?
The IUPAC name of 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate (CID 126732371) is 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate?
The canonical SMILES for 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate is COC(C)(CC(C)C)c1ccc(C(=O)OCCO)o1.
What is the InChIKey of 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate?
The InChIKey is KDUXQGGSWQZRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-10(2)9-14(3,17-4)12-6-5-11(19-12)13(16)18-8-7-15/h5-6,10,15H,7-9H2,1-4H3.
What are the key properties of 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate?
2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 5-(2-methoxy-4-methylpentan-2-yl)furan-2-carboxylate is sourced from PubChem (CID 126732371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).