1-chloro-3-ethoxybut-1-ene

C6H11ClO — CID 57054393

IUPAC1-chloro-3-ethoxybut-1-ene
SMILESCCOC(C)C=CCl
InChIInChI=1S/C6H11ClO/c1-3-8-6(2)4-5-7/h4-6H,3H2,1-2H3
InChIKeyOJIKCHAQTXJHAA-UHFFFAOYSA-N
MW134.61 g/mol
LogP2.16
Rot. Bonds3

About 1-chloro-3-ethoxybut-1-ene

1-chloro-3-ethoxybut-1-ene (PubChem CID 57054393) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is 1-chloro-3-ethoxybut-1-ene.

Molecular Properties

Compound Name1-chloro-3-ethoxybut-1-ene
PubChem CID57054393
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name1-chloro-3-ethoxybut-1-ene
SMILESCCOC(C)C=CCl
InChIInChI=1S/C6H11ClO/c1-3-8-6(2)4-5-7/h4-6H,3H2,1-2H3
InChIKeyOJIKCHAQTXJHAA-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethoxybut-1-ene?
The IUPAC name of 1-chloro-3-ethoxybut-1-ene (CID 57054393) is 1-chloro-3-ethoxybut-1-ene.
What is the SMILES notation for 1-chloro-3-ethoxybut-1-ene?
The canonical SMILES for 1-chloro-3-ethoxybut-1-ene is CCOC(C)C=CCl.
What is the InChIKey of 1-chloro-3-ethoxybut-1-ene?
The InChIKey is OJIKCHAQTXJHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO/c1-3-8-6(2)4-5-7/h4-6H,3H2,1-2H3.
What are the key properties of 1-chloro-3-ethoxybut-1-ene?
1-chloro-3-ethoxybut-1-ene has a molecular weight of 134.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethoxybut-1-ene is sourced from PubChem (CID 57054393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).