[5-(diethoxymethyl)thiophen-2-yl]methanol

C10H16O3S — CID 67138704

IUPAC[5-(diethoxymethyl)thiophen-2-yl]methanol
SMILESCCOC(OCC)c1ccc(CO)s1
InChIInChI=1S/C10H16O3S/c1-3-12-10(13-4-2)9-6-5-8(7-11)14-9/h5-6,10-11H,3-4,7H2,1-2H3
InChIKeyDSVDEEOOGISDOU-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.31
Rot. Bonds6

About [5-(diethoxymethyl)thiophen-2-yl]methanol

[5-(diethoxymethyl)thiophen-2-yl]methanol (PubChem CID 67138704) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is [5-(diethoxymethyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(diethoxymethyl)thiophen-2-yl]methanol
PubChem CID67138704
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name[5-(diethoxymethyl)thiophen-2-yl]methanol
SMILESCCOC(OCC)c1ccc(CO)s1
InChIInChI=1S/C10H16O3S/c1-3-12-10(13-4-2)9-6-5-8(7-11)14-9/h5-6,10-11H,3-4,7H2,1-2H3
InChIKeyDSVDEEOOGISDOU-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.31
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 [5-(diethoxymethyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(diethoxymethyl)thiophen-2-yl]methanol (CID 67138704) is [5-(diethoxymethyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(diethoxymethyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(diethoxymethyl)thiophen-2-yl]methanol is CCOC(OCC)c1ccc(CO)s1.
What is the InChIKey of [5-(diethoxymethyl)thiophen-2-yl]methanol?
The InChIKey is DSVDEEOOGISDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-3-12-10(13-4-2)9-6-5-8(7-11)14-9/h5-6,10-11H,3-4,7H2,1-2H3.
What are the key properties of [5-(diethoxymethyl)thiophen-2-yl]methanol?
[5-(diethoxymethyl)thiophen-2-yl]methanol has a molecular weight of 216.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethoxymethyl)thiophen-2-yl]methanol is sourced from PubChem (CID 67138704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).