(5-ethoxy-3-methylideneoxolan-2-yl)methanol

C8H14O3 — CID 19875540

IUPAC(5-ethoxy-3-methylideneoxolan-2-yl)methanol
SMILESC=C1CC(OCC)OC1CO
InChIInChI=1S/C8H14O3/c1-3-10-8-4-6(2)7(5-9)11-8/h7-9H,2-5H2,1H3
InChIKeyXVPHWTWVTVZDEF-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds3

About (5-ethoxy-3-methylideneoxolan-2-yl)methanol

(5-ethoxy-3-methylideneoxolan-2-yl)methanol (PubChem CID 19875540) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5-ethoxy-3-methylideneoxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-ethoxy-3-methylideneoxolan-2-yl)methanol
PubChem CID19875540
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(5-ethoxy-3-methylideneoxolan-2-yl)methanol
SMILESC=C1CC(OCC)OC1CO
InChIInChI=1S/C8H14O3/c1-3-10-8-4-6(2)7(5-9)11-8/h7-9H,2-5H2,1H3
InChIKeyXVPHWTWVTVZDEF-UHFFFAOYSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxy-3-methylideneoxolan-2-yl)methanol?
The IUPAC name of (5-ethoxy-3-methylideneoxolan-2-yl)methanol (CID 19875540) is (5-ethoxy-3-methylideneoxolan-2-yl)methanol.
What is the SMILES notation for (5-ethoxy-3-methylideneoxolan-2-yl)methanol?
The canonical SMILES for (5-ethoxy-3-methylideneoxolan-2-yl)methanol is C=C1CC(OCC)OC1CO.
What is the InChIKey of (5-ethoxy-3-methylideneoxolan-2-yl)methanol?
The InChIKey is XVPHWTWVTVZDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-10-8-4-6(2)7(5-9)11-8/h7-9H,2-5H2,1H3.
What are the key properties of (5-ethoxy-3-methylideneoxolan-2-yl)methanol?
(5-ethoxy-3-methylideneoxolan-2-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-methylideneoxolan-2-yl)methanol is sourced from PubChem (CID 19875540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).