2-(diethoxymethyl)pent-4-en-1-ol

C10H20O3 — CID 14183836

IUPAC2-(diethoxymethyl)pent-4-en-1-ol
SMILESC=CCC(CO)C(OCC)OCC
InChIInChI=1S/C10H20O3/c1-4-7-9(8-11)10(12-5-2)13-6-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyAAEGOGXAGRGRRD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.57
Rot. Bonds8

About 2-(diethoxymethyl)pent-4-en-1-ol

2-(diethoxymethyl)pent-4-en-1-ol (PubChem CID 14183836) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(diethoxymethyl)pent-4-en-1-ol.

Molecular Properties

Compound Name2-(diethoxymethyl)pent-4-en-1-ol
PubChem CID14183836
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(diethoxymethyl)pent-4-en-1-ol
SMILESC=CCC(CO)C(OCC)OCC
InChIInChI=1S/C10H20O3/c1-4-7-9(8-11)10(12-5-2)13-6-3/h4,9-11H,1,5-8H2,2-3H3
InChIKeyAAEGOGXAGRGRRD-UHFFFAOYSA-N
XLogP1.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)pent-4-en-1-ol?
The IUPAC name of 2-(diethoxymethyl)pent-4-en-1-ol (CID 14183836) is 2-(diethoxymethyl)pent-4-en-1-ol.
What is the SMILES notation for 2-(diethoxymethyl)pent-4-en-1-ol?
The canonical SMILES for 2-(diethoxymethyl)pent-4-en-1-ol is C=CCC(CO)C(OCC)OCC.
What is the InChIKey of 2-(diethoxymethyl)pent-4-en-1-ol?
The InChIKey is AAEGOGXAGRGRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-7-9(8-11)10(12-5-2)13-6-3/h4,9-11H,1,5-8H2,2-3H3.
What are the key properties of 2-(diethoxymethyl)pent-4-en-1-ol?
2-(diethoxymethyl)pent-4-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)pent-4-en-1-ol is sourced from PubChem (CID 14183836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).