[2-(dimethoxymethyl)-3H-furan-2-yl]methanol

C8H14O4 — CID 67828311

IUPAC[2-(dimethoxymethyl)-3H-furan-2-yl]methanol
SMILESCOC(OC)C1(CO)CC=CO1
InChIInChI=1S/C8H14O4/c1-10-7(11-2)8(6-9)4-3-5-12-8/h3,5,7,9H,4,6H2,1-2H3
InChIKeyIJXMBPYQVFXLBS-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.27
Rot. Bonds4

About [2-(dimethoxymethyl)-3H-furan-2-yl]methanol

[2-(dimethoxymethyl)-3H-furan-2-yl]methanol (PubChem CID 67828311) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is [2-(dimethoxymethyl)-3H-furan-2-yl]methanol.

Molecular Properties

Compound Name[2-(dimethoxymethyl)-3H-furan-2-yl]methanol
PubChem CID67828311
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name[2-(dimethoxymethyl)-3H-furan-2-yl]methanol
SMILESCOC(OC)C1(CO)CC=CO1
InChIInChI=1S/C8H14O4/c1-10-7(11-2)8(6-9)4-3-5-12-8/h3,5,7,9H,4,6H2,1-2H3
InChIKeyIJXMBPYQVFXLBS-UHFFFAOYSA-N
XLogP0.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethoxymethyl)-3H-furan-2-yl]methanol?
The IUPAC name of [2-(dimethoxymethyl)-3H-furan-2-yl]methanol (CID 67828311) is [2-(dimethoxymethyl)-3H-furan-2-yl]methanol.
What is the SMILES notation for [2-(dimethoxymethyl)-3H-furan-2-yl]methanol?
The canonical SMILES for [2-(dimethoxymethyl)-3H-furan-2-yl]methanol is COC(OC)C1(CO)CC=CO1.
What is the InChIKey of [2-(dimethoxymethyl)-3H-furan-2-yl]methanol?
The InChIKey is IJXMBPYQVFXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-7(11-2)8(6-9)4-3-5-12-8/h3,5,7,9H,4,6H2,1-2H3.
What are the key properties of [2-(dimethoxymethyl)-3H-furan-2-yl]methanol?
[2-(dimethoxymethyl)-3H-furan-2-yl]methanol has a molecular weight of 174.20 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethoxymethyl)-3H-furan-2-yl]methanol is sourced from PubChem (CID 67828311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).