(E)-2-methoxybut-2-ene

C5H10O — CID 5463064

IUPAC(E)-2-methoxybut-2-ene
SMILESC/C=C(\C)OC
InChIInChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3/b5-4+
InChIKeyJWBPCSXRWORRAI-SNAWJCMRSA-N
MW86.13 g/mol
LogP1.56
Rot. Bonds1

About (E)-2-methoxybut-2-ene

(E)-2-methoxybut-2-ene (PubChem CID 5463064) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (E)-2-methoxybut-2-ene.

Molecular Properties

Compound Name(E)-2-methoxybut-2-ene
PubChem CID5463064
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(E)-2-methoxybut-2-ene
SMILESC/C=C(\C)OC
InChIInChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3/b5-4+
InChIKeyJWBPCSXRWORRAI-SNAWJCMRSA-N
XLogP1.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-methoxybut-2-ene?
The IUPAC name of (E)-2-methoxybut-2-ene (CID 5463064) is (E)-2-methoxybut-2-ene.
What is the SMILES notation for (E)-2-methoxybut-2-ene?
The canonical SMILES for (E)-2-methoxybut-2-ene is C/C=C(\C)OC.
What is the InChIKey of (E)-2-methoxybut-2-ene?
The InChIKey is JWBPCSXRWORRAI-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3/b5-4+.
What are the key properties of (E)-2-methoxybut-2-ene?
(E)-2-methoxybut-2-ene has a molecular weight of 86.13 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxybut-2-ene is sourced from PubChem (CID 5463064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).