(E)-5-chloro-4-methoxypent-2-ene

C6H11ClO — CID 55298196

IUPAC(E)-5-chloro-4-methoxypent-2-ene
SMILESC/C=C/C(CCl)OC
InChIInChI=1S/C6H11ClO/c1-3-4-6(5-7)8-2/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyQZJJYEIAUUONHH-ONEGZZNKSA-N
MW134.61 g/mol
LogP1.82
Rot. Bonds3

About (E)-5-chloro-4-methoxypent-2-ene

(E)-5-chloro-4-methoxypent-2-ene (PubChem CID 55298196) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is (E)-5-chloro-4-methoxypent-2-ene.

Molecular Properties

Compound Name(E)-5-chloro-4-methoxypent-2-ene
PubChem CID55298196
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name(E)-5-chloro-4-methoxypent-2-ene
SMILESC/C=C/C(CCl)OC
InChIInChI=1S/C6H11ClO/c1-3-4-6(5-7)8-2/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyQZJJYEIAUUONHH-ONEGZZNKSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-4-methoxypent-2-ene?
The IUPAC name of (E)-5-chloro-4-methoxypent-2-ene (CID 55298196) is (E)-5-chloro-4-methoxypent-2-ene.
What is the SMILES notation for (E)-5-chloro-4-methoxypent-2-ene?
The canonical SMILES for (E)-5-chloro-4-methoxypent-2-ene is C/C=C/C(CCl)OC.
What is the InChIKey of (E)-5-chloro-4-methoxypent-2-ene?
The InChIKey is QZJJYEIAUUONHH-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11ClO/c1-3-4-6(5-7)8-2/h3-4,6H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-5-chloro-4-methoxypent-2-ene?
(E)-5-chloro-4-methoxypent-2-ene has a molecular weight of 134.61 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-4-methoxypent-2-ene is sourced from PubChem (CID 55298196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).