[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol

C11H18O5 — CID 104564733

IUPAC[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol
SMILESCOCCOCCOCc1ccc(CO)o1
InChIInChI=1S/C11H18O5/c1-13-4-5-14-6-7-15-9-11-3-2-10(8-12)16-11/h2-3,12H,4-9H2,1H3
InChIKeyZRYKHDOAEKRWPX-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.95
Rot. Bonds9

About [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol

[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol (PubChem CID 104564733) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol
PubChem CID104564733
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol
SMILESCOCCOCCOCc1ccc(CO)o1
InChIInChI=1S/C11H18O5/c1-13-4-5-14-6-7-15-9-11-3-2-10(8-12)16-11/h2-3,12H,4-9H2,1H3
InChIKeyZRYKHDOAEKRWPX-UHFFFAOYSA-N
XLogP0.95
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol?
The IUPAC name of [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol (CID 104564733) is [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol?
The canonical SMILES for [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol is COCCOCCOCc1ccc(CO)o1.
What is the InChIKey of [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol?
The InChIKey is ZRYKHDOAEKRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-13-4-5-14-6-7-15-9-11-3-2-10(8-12)16-11/h2-3,12H,4-9H2,1H3.
What are the key properties of [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol?
[5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol has a molecular weight of 230.26 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-methoxyethoxy)ethoxymethyl]furan-2-yl]methanol is sourced from PubChem (CID 104564733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).