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

C7H13ClO2 — CID 10888272

IUPAC2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene
SMILESC=C(CCl)COCCOC
InChIInChI=1S/C7H13ClO2/c1-7(5-8)6-10-4-3-9-2/h1,3-6H2,2H3
InChIKeyCTKNAGBKYDEJMC-UHFFFAOYSA-N
MW164.63 g/mol
LogP1.44
Rot. Bonds6

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

2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene (PubChem CID 10888272) has the molecular formula C7H13ClO2 and a molecular weight of 164.63 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene
PubChem CID10888272
Molecular FormulaC7H13ClO2
Molecular Weight164.63 g/mol
Exact Mass164.06
IUPAC Name2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene
SMILESC=C(CCl)COCCOC
InChIInChI=1S/C7H13ClO2/c1-7(5-8)6-10-4-3-9-2/h1,3-6H2,2H3
InChIKeyCTKNAGBKYDEJMC-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.63
LogP ≤ 51.44
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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Related Compounds

2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene
CID 121001046
N-[2-(2-methoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074416
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1,2-dimethoxyethane;ethane
CID 91349162
2-(2-methoxyethoxy)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
N-(2-chloroethyl)-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104567151
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hydroxylamine
CID 144965473
ethane;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 163400177

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene?
The IUPAC name of 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene (CID 10888272) is 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene.
What is the SMILES notation for 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene?
The canonical SMILES for 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene is C=C(CCl)COCCOC.
What is the InChIKey of 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene?
The InChIKey is CTKNAGBKYDEJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO2/c1-7(5-8)6-10-4-3-9-2/h1,3-6H2,2H3.
What are the key properties of 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene?
2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene has a molecular weight of 164.63 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene is sourced from PubChem (CID 10888272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).