1-(2-chloroethoxy)prop-1-ene

C5H9ClO — CID 57285893

IUPAC1-(2-chloroethoxy)prop-1-ene
SMILESCC=COCCCl
InChIInChI=1S/C5H9ClO/c1-2-4-7-5-3-6/h2,4H,3,5H2,1H3
InChIKeyGYTOJALPPLZKKP-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.78
Rot. Bonds3

About 1-(2-chloroethoxy)prop-1-ene

1-(2-chloroethoxy)prop-1-ene (PubChem CID 57285893) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 1-(2-chloroethoxy)prop-1-ene.

Molecular Properties

Compound Name1-(2-chloroethoxy)prop-1-ene
PubChem CID57285893
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name1-(2-chloroethoxy)prop-1-ene
SMILESCC=COCCCl
InChIInChI=1S/C5H9ClO/c1-2-4-7-5-3-6/h2,4H,3,5H2,1H3
InChIKeyGYTOJALPPLZKKP-UHFFFAOYSA-N
XLogP1.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethoxy)prop-1-ene?
The IUPAC name of 1-(2-chloroethoxy)prop-1-ene (CID 57285893) is 1-(2-chloroethoxy)prop-1-ene.
What is the SMILES notation for 1-(2-chloroethoxy)prop-1-ene?
The canonical SMILES for 1-(2-chloroethoxy)prop-1-ene is CC=COCCCl.
What is the InChIKey of 1-(2-chloroethoxy)prop-1-ene?
The InChIKey is GYTOJALPPLZKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c1-2-4-7-5-3-6/h2,4H,3,5H2,1H3.
What are the key properties of 1-(2-chloroethoxy)prop-1-ene?
1-(2-chloroethoxy)prop-1-ene has a molecular weight of 120.58 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethoxy)prop-1-ene is sourced from PubChem (CID 57285893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).