(5-ethyl-2,5-dihydrofuran-2-yl)methanol

C7H12O2 — CID 23266268

IUPAC(5-ethyl-2,5-dihydrofuran-2-yl)methanol
SMILESCCC1C=CC(CO)O1
InChIInChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h3-4,6-8H,2,5H2,1H3
InChIKeySVPHORIHKGNIQJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About (5-ethyl-2,5-dihydrofuran-2-yl)methanol

(5-ethyl-2,5-dihydrofuran-2-yl)methanol (PubChem CID 23266268) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (5-ethyl-2,5-dihydrofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-2,5-dihydrofuran-2-yl)methanol
PubChem CID23266268
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(5-ethyl-2,5-dihydrofuran-2-yl)methanol
SMILESCCC1C=CC(CO)O1
InChIInChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h3-4,6-8H,2,5H2,1H3
InChIKeySVPHORIHKGNIQJ-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,5-dihydrofuran-2-yl)methanol?
The IUPAC name of (5-ethyl-2,5-dihydrofuran-2-yl)methanol (CID 23266268) is (5-ethyl-2,5-dihydrofuran-2-yl)methanol.
What is the SMILES notation for (5-ethyl-2,5-dihydrofuran-2-yl)methanol?
The canonical SMILES for (5-ethyl-2,5-dihydrofuran-2-yl)methanol is CCC1C=CC(CO)O1.
What is the InChIKey of (5-ethyl-2,5-dihydrofuran-2-yl)methanol?
The InChIKey is SVPHORIHKGNIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-6-3-4-7(5-8)9-6/h3-4,6-8H,2,5H2,1H3.
What are the key properties of (5-ethyl-2,5-dihydrofuran-2-yl)methanol?
(5-ethyl-2,5-dihydrofuran-2-yl)methanol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,5-dihydrofuran-2-yl)methanol is sourced from PubChem (CID 23266268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).