2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene

C8H15ClO2 — CID 103065980

IUPAC2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
SMILESC=C(CCl)COCCOCC
InChIInChI=1S/C8H15ClO2/c1-3-10-4-5-11-7-8(2)6-9/h2-7H2,1H3
InChIKeyMDWKHTNWLVSRGS-UHFFFAOYSA-N
MW178.66 g/mol
LogP1.83
Rot. Bonds7

About 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene

2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene (PubChem CID 103065980) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
PubChem CID103065980
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene
SMILESC=C(CCl)COCCOCC
InChIInChI=1S/C8H15ClO2/c1-3-10-4-5-11-7-8(2)6-9/h2-7H2,1H3
InChIKeyMDWKHTNWLVSRGS-UHFFFAOYSA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene?
The IUPAC name of 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene (CID 103065980) is 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene.
What is the SMILES notation for 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene?
The canonical SMILES for 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene is C=C(CCl)COCCOCC.
What is the InChIKey of 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene?
The InChIKey is MDWKHTNWLVSRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2/c1-3-10-4-5-11-7-8(2)6-9/h2-7H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene?
2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene has a molecular weight of 178.66 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-ethoxyethoxy)prop-1-ene is sourced from PubChem (CID 103065980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).