3-(ethoxymethylidene)pentane-2,4-diol

C8H16O3 — CID 141022365

IUPAC3-(ethoxymethylidene)pentane-2,4-diol
SMILESCCOC=C(C(C)O)C(C)O
InChIInChI=1S/C8H16O3/c1-4-11-5-8(6(2)9)7(3)10/h5-7,9-10H,4H2,1-3H3
InChIKeyBZVNKXKNAUACMV-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.67
Rot. Bonds4

About 3-(ethoxymethylidene)pentane-2,4-diol

3-(ethoxymethylidene)pentane-2,4-diol (PubChem CID 141022365) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(ethoxymethylidene)pentane-2,4-diol.

Molecular Properties

Compound Name3-(ethoxymethylidene)pentane-2,4-diol
PubChem CID141022365
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(ethoxymethylidene)pentane-2,4-diol
SMILESCCOC=C(C(C)O)C(C)O
InChIInChI=1S/C8H16O3/c1-4-11-5-8(6(2)9)7(3)10/h5-7,9-10H,4H2,1-3H3
InChIKeyBZVNKXKNAUACMV-UHFFFAOYSA-N
XLogP0.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethylidene)pentane-2,4-diol?
The IUPAC name of 3-(ethoxymethylidene)pentane-2,4-diol (CID 141022365) is 3-(ethoxymethylidene)pentane-2,4-diol.
What is the SMILES notation for 3-(ethoxymethylidene)pentane-2,4-diol?
The canonical SMILES for 3-(ethoxymethylidene)pentane-2,4-diol is CCOC=C(C(C)O)C(C)O.
What is the InChIKey of 3-(ethoxymethylidene)pentane-2,4-diol?
The InChIKey is BZVNKXKNAUACMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-11-5-8(6(2)9)7(3)10/h5-7,9-10H,4H2,1-3H3.
What are the key properties of 3-(ethoxymethylidene)pentane-2,4-diol?
3-(ethoxymethylidene)pentane-2,4-diol has a molecular weight of 160.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethylidene)pentane-2,4-diol is sourced from PubChem (CID 141022365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).