2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane

C18H23ClO4 — CID 88608040

IUPAC2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
SMILESC=CC(Cl)OCC1CO1.C=CCc1ccccc1OCC1CO1
InChIInChI=1S/C12H14O2.C6H9ClO2/c1-2-5-10-6-3-4-7-12(10)14-9-11-8-13-11;1-2-6(7)9-4-5-3-8-5/h2-4,6-7,11H,1,5,8-9H2;2,5-6H,1,3-4H2
InChIKeyFTULFZGDNUXZHG-UHFFFAOYSA-N
MW338.83 g/mol
LogP3.35
Rot. Bonds9

About 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane

2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane (PubChem CID 88608040) has the molecular formula C18H23ClO4 and a molecular weight of 338.83 g/mol. Its IUPAC name is 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
PubChem CID88608040
Molecular FormulaC18H23ClO4
Molecular Weight338.83 g/mol
Exact Mass338.13
IUPAC Name2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane
SMILESC=CC(Cl)OCC1CO1.C=CCc1ccccc1OCC1CO1
InChIInChI=1S/C12H14O2.C6H9ClO2/c1-2-5-10-6-3-4-7-12(10)14-9-11-8-13-11;1-2-6(7)9-4-5-3-8-5/h2-4,6-7,11H,1,5,8-9H2;2,5-6H,1,3-4H2
InChIKeyFTULFZGDNUXZHG-UHFFFAOYSA-N
XLogP3.35
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxy-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 102120197
2-[[4-[[4-[bis[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]phenyl]-[4-(oxiran-2-ylmethoxy)-3-prop-2-enylphenyl]methyl]-2-prop-2-enylphenoxy]methyl]oxirane
CID 130209641
2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
CID 101312440
2-[(2-non-8-enylphenoxy)methyl]oxirane
CID 101312578
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[(2-prop-2-enylphenyl)methoxymethyl]oxirane
CID 135350457
2-(oxiran-2-ylmethoxymethyl)oxirane;2-prop-2-enylphenol
CID 19736108
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
CID 134322112
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
2-[[2-[(E)-dodec-2-enyl]phenoxy]methyl]oxirane
CID 101312734
2-[[4-[4-(cyclopropylmethoxy)-3-prop-2-enylphenyl]phenoxy]methyl]oxirane
CID 90250128

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane?
The IUPAC name of 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane (CID 88608040) is 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane?
The canonical SMILES for 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane is C=CC(Cl)OCC1CO1.C=CCc1ccccc1OCC1CO1.
What is the InChIKey of 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane?
The InChIKey is FTULFZGDNUXZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.C6H9ClO2/c1-2-5-10-6-3-4-7-12(10)14-9-11-8-13-11;1-2-6(7)9-4-5-3-8-5/h2-4,6-7,11H,1,5,8-9H2;2,5-6H,1,3-4H2.
What are the key properties of 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane?
2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane has a molecular weight of 338.83 g/mol, XLogP of 3.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroprop-2-enoxymethyl)oxirane;2-[(2-prop-2-enylphenoxy)methyl]oxirane is sourced from PubChem (CID 88608040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).