2-chloro-1,1-dimethoxybut-2-ene

C6H11ClO2 — CID 131865587

IUPAC2-chloro-1,1-dimethoxybut-2-ene
SMILESCC=C(Cl)C(OC)OC
InChIInChI=1S/C6H11ClO2/c1-4-5(7)6(8-2)9-3/h4,6H,1-3H3
InChIKeyZOFFXYSHSHMFOA-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.75
Rot. Bonds3

About 2-chloro-1,1-dimethoxybut-2-ene

2-chloro-1,1-dimethoxybut-2-ene (PubChem CID 131865587) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 2-chloro-1,1-dimethoxybut-2-ene.

Molecular Properties

Compound Name2-chloro-1,1-dimethoxybut-2-ene
PubChem CID131865587
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name2-chloro-1,1-dimethoxybut-2-ene
SMILESCC=C(Cl)C(OC)OC
InChIInChI=1S/C6H11ClO2/c1-4-5(7)6(8-2)9-3/h4,6H,1-3H3
InChIKeyZOFFXYSHSHMFOA-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,1-dimethoxybut-2-ene?
The IUPAC name of 2-chloro-1,1-dimethoxybut-2-ene (CID 131865587) is 2-chloro-1,1-dimethoxybut-2-ene.
What is the SMILES notation for 2-chloro-1,1-dimethoxybut-2-ene?
The canonical SMILES for 2-chloro-1,1-dimethoxybut-2-ene is CC=C(Cl)C(OC)OC.
What is the InChIKey of 2-chloro-1,1-dimethoxybut-2-ene?
The InChIKey is ZOFFXYSHSHMFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-4-5(7)6(8-2)9-3/h4,6H,1-3H3.
What are the key properties of 2-chloro-1,1-dimethoxybut-2-ene?
2-chloro-1,1-dimethoxybut-2-ene has a molecular weight of 150.60 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-dimethoxybut-2-ene is sourced from PubChem (CID 131865587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).