1-[(Z)-but-2-enoxy]butan-2-ol

C8H16O2 — CID 58176388

IUPAC1-[(Z)-but-2-enoxy]butan-2-ol
SMILESC/C=C\COCC(O)CC
InChIInChI=1S/C8H16O2/c1-3-5-6-10-7-8(9)4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-
InChIKeyIKZAFIHVYHTFJE-HYXAFXHYSA-N
MW144.21 g/mol
LogP1.35
Rot. Bonds5

About 1-[(Z)-but-2-enoxy]butan-2-ol

1-[(Z)-but-2-enoxy]butan-2-ol (PubChem CID 58176388) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-[(Z)-but-2-enoxy]butan-2-ol.

Molecular Properties

Compound Name1-[(Z)-but-2-enoxy]butan-2-ol
PubChem CID58176388
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-[(Z)-but-2-enoxy]butan-2-ol
SMILESC/C=C\COCC(O)CC
InChIInChI=1S/C8H16O2/c1-3-5-6-10-7-8(9)4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-
InChIKeyIKZAFIHVYHTFJE-HYXAFXHYSA-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 1-[(Z)-but-2-enoxy]butan-2-ol?
The IUPAC name of 1-[(Z)-but-2-enoxy]butan-2-ol (CID 58176388) is 1-[(Z)-but-2-enoxy]butan-2-ol.
What is the SMILES notation for 1-[(Z)-but-2-enoxy]butan-2-ol?
The canonical SMILES for 1-[(Z)-but-2-enoxy]butan-2-ol is C/C=C\COCC(O)CC.
What is the InChIKey of 1-[(Z)-but-2-enoxy]butan-2-ol?
The InChIKey is IKZAFIHVYHTFJE-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-5-6-10-7-8(9)4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-but-2-enoxy]butan-2-ol?
1-[(Z)-but-2-enoxy]butan-2-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 1-[(Z)-but-2-enoxy]butan-2-ol is sourced from PubChem (CID 58176388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).