5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol

C16H30O5 — CID 57299979

IUPAC5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol
SMILESC=CC(O)(CCOCC)COCC(O)(C=C)CCOCC
InChIInChI=1S/C16H30O5/c1-5-15(17,9-11-19-7-3)13-21-14-16(18,6-2)10-12-20-8-4/h5-6,17-18H,1-2,7-14H2,3-4H3
InChIKeyMGVFPUDEUYPRES-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.69
Rot. Bonds14

About 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol

5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol (PubChem CID 57299979) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol.

Molecular Properties

Compound Name5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol
PubChem CID57299979
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Name5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol
SMILESC=CC(O)(CCOCC)COCC(O)(C=C)CCOCC
InChIInChI=1S/C16H30O5/c1-5-15(17,9-11-19-7-3)13-21-14-16(18,6-2)10-12-20-8-4/h5-6,17-18H,1-2,7-14H2,3-4H3
InChIKeyMGVFPUDEUYPRES-UHFFFAOYSA-N
XLogP1.69
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol?
The IUPAC name of 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol (CID 57299979) is 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol.
What is the SMILES notation for 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol?
The canonical SMILES for 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol is C=CC(O)(CCOCC)COCC(O)(C=C)CCOCC.
What is the InChIKey of 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol?
The InChIKey is MGVFPUDEUYPRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5/c1-5-15(17,9-11-19-7-3)13-21-14-16(18,6-2)10-12-20-8-4/h5-6,17-18H,1-2,7-14H2,3-4H3.
What are the key properties of 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol?
5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol has a molecular weight of 302.41 g/mol, XLogP of 1.69, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[[2-(2-ethoxyethyl)-2-hydroxybut-3-enoxy]methyl]pent-1-en-3-ol is sourced from PubChem (CID 57299979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).