[2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol

C9H16O4 — CID 70065069

IUPAC[2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol
SMILESCOCCC1(CO)CC=C(CO)O1
InChIInChI=1S/C9H16O4/c1-12-5-4-9(7-11)3-2-8(6-10)13-9/h2,10-11H,3-7H2,1H3
InChIKeyIIXSFTCYRFCQOK-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.05
Rot. Bonds5

About [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol

[2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol (PubChem CID 70065069) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol
PubChem CID70065069
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name[2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol
SMILESCOCCC1(CO)CC=C(CO)O1
InChIInChI=1S/C9H16O4/c1-12-5-4-9(7-11)3-2-8(6-10)13-9/h2,10-11H,3-7H2,1H3
InChIKeyIIXSFTCYRFCQOK-UHFFFAOYSA-N
XLogP0.05
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol (CID 70065069) is [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol is COCCC1(CO)CC=C(CO)O1.
What is the InChIKey of [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol?
The InChIKey is IIXSFTCYRFCQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-12-5-4-9(7-11)3-2-8(6-10)13-9/h2,10-11H,3-7H2,1H3.
What are the key properties of [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol?
[2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol has a molecular weight of 188.22 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-(2-methoxyethyl)-3H-furan-5-yl]methanol is sourced from PubChem (CID 70065069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).