5-ethoxy-3-methylpent-1-en-3-ol

C8H16O2 — CID 149159703

IUPAC5-ethoxy-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCOCC
InChIInChI=1S/C8H16O2/c1-4-8(3,9)6-7-10-5-2/h4,9H,1,5-7H2,2-3H3
InChIKeyVIGKCQFMABJQEG-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 5-ethoxy-3-methylpent-1-en-3-ol

5-ethoxy-3-methylpent-1-en-3-ol (PubChem CID 149159703) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-ethoxy-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-ethoxy-3-methylpent-1-en-3-ol
PubChem CID149159703
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-ethoxy-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCOCC
InChIInChI=1S/C8H16O2/c1-4-8(3,9)6-7-10-5-2/h4,9H,1,5-7H2,2-3H3
InChIKeyVIGKCQFMABJQEG-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpent-1-en-3-ol?
The IUPAC name of 5-ethoxy-3-methylpent-1-en-3-ol (CID 149159703) is 5-ethoxy-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-ethoxy-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-ethoxy-3-methylpent-1-en-3-ol is C=CC(C)(O)CCOCC.
What is the InChIKey of 5-ethoxy-3-methylpent-1-en-3-ol?
The InChIKey is VIGKCQFMABJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-8(3,9)6-7-10-5-2/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 5-ethoxy-3-methylpent-1-en-3-ol?
5-ethoxy-3-methylpent-1-en-3-ol has a molecular weight of 144.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methylpent-1-en-3-ol is sourced from PubChem (CID 149159703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).