1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane

C7H12Cl2O2 — CID 15277569

IUPAC1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane
SMILESC=CCOCC(CCl)OCCl
InChIInChI=1S/C7H12Cl2O2/c1-2-3-10-5-7(4-8)11-6-9/h2,7H,1,3-6H2
InChIKeyGJGVMJBGEXMZNH-UHFFFAOYSA-N
MW199.08 g/mol
LogP2.01
Rot. Bonds7

About 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane

1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane (PubChem CID 15277569) has the molecular formula C7H12Cl2O2 and a molecular weight of 199.08 g/mol. Its IUPAC name is 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane
PubChem CID15277569
Molecular FormulaC7H12Cl2O2
Molecular Weight199.08 g/mol
Exact Mass198.02
IUPAC Name1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane
SMILESC=CCOCC(CCl)OCCl
InChIInChI=1S/C7H12Cl2O2/c1-2-3-10-5-7(4-8)11-6-9/h2,7H,1,3-6H2
InChIKeyGJGVMJBGEXMZNH-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.08
LogP ≤ 52.01
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

(2S)-2-[[(2R)-1-chloro-3-prop-2-enoxypropan-2-yl]oxymethyl]oxirane
CID 40531294
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
1-chloro-2-prop-2-enoxyethanamine;hydrochloride
CID 174944456
1-chloro-2,3-bis(2-chloroethoxy)propane
CID 56630886
3-[1-(2-hydroxy-3-prop-2-enoxypropoxy)-3-prop-2-enoxypropan-2-yl]oxypropane-1,2-diol
CID 88980935
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
CID 174891666
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
CID 170724372
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
1,2,3-tris[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-prop-2-enoxypropoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 59107254
5-[1-[1-[2-[3-[2,3-bis[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]-2-[3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-prop-2-enoxypropoxy]-2-prop-2-enoxypropoxy]propoxy]-3-[2-[2,3-bis(prop-2-enoxy)propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propoxy]propoxy]propoxy]-3-[3-[2,3-bis(prop-2-enoxy)propoxy]-2-prop-2-enoxypropoxy]propan-2-yl]oxy-3-[2,3-bis(prop-2-enoxy)propoxy]propan-2-yl]oxypent-1-ene
CID 102351484
(2R)-2-hydroxy-3-prop-2-enoxypropanenitrile
CID 101034532
2-amino-3-prop-2-enoxypropanenitrile
CID 19739900

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane?
The IUPAC name of 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane (CID 15277569) is 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane.
What is the SMILES notation for 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane?
The canonical SMILES for 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane is C=CCOCC(CCl)OCCl.
What is the InChIKey of 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane?
The InChIKey is GJGVMJBGEXMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Cl2O2/c1-2-3-10-5-7(4-8)11-6-9/h2,7H,1,3-6H2.
What are the key properties of 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane?
1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane has a molecular weight of 199.08 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethoxy)-3-prop-2-enoxypropane is sourced from PubChem (CID 15277569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).