(E)-4-methoxybut-3-en-2-ol

C5H10O2 — CID 11073357

IUPAC(E)-4-methoxybut-3-en-2-ol
SMILESCO/C=C/C(C)O
InChIInChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-6H,1-2H3/b4-3+
InChIKeyAROJMVOZBJUYDH-ONEGZZNKSA-N
MW102.13 g/mol
LogP0.53
Rot. Bonds2

About (E)-4-methoxybut-3-en-2-ol

(E)-4-methoxybut-3-en-2-ol (PubChem CID 11073357) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (E)-4-methoxybut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-methoxybut-3-en-2-ol
PubChem CID11073357
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(E)-4-methoxybut-3-en-2-ol
SMILESCO/C=C/C(C)O
InChIInChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-6H,1-2H3/b4-3+
InChIKeyAROJMVOZBJUYDH-ONEGZZNKSA-N
XLogP0.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-4-methoxybut-3-en-2-ol?
The IUPAC name of (E)-4-methoxybut-3-en-2-ol (CID 11073357) is (E)-4-methoxybut-3-en-2-ol.
What is the SMILES notation for (E)-4-methoxybut-3-en-2-ol?
The canonical SMILES for (E)-4-methoxybut-3-en-2-ol is CO/C=C/C(C)O.
What is the InChIKey of (E)-4-methoxybut-3-en-2-ol?
The InChIKey is AROJMVOZBJUYDH-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-4-methoxybut-3-en-2-ol?
(E)-4-methoxybut-3-en-2-ol has a molecular weight of 102.13 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methoxybut-3-en-2-ol is sourced from PubChem (CID 11073357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).