2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane

C12H21ClO4 — CID 174454485

IUPAC2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.CC1CO1.CC1OC1Cl
InChIInChI=1S/C6H10O2.C3H5ClO.C3H6O/c1-2-3-7-4-6-5-8-6;1-2-3(4)5-2;1-3-2-4-3/h2,6H,1,3-5H2;2-3H,1H3;3H,2H2,1H3
InChIKeyOPMMFSDVJBHRTE-UHFFFAOYSA-N
MW264.75 g/mol
LogP1.96
Rot. Bonds4

About 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane

2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane (PubChem CID 174454485) has the molecular formula C12H21ClO4 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
PubChem CID174454485
Molecular FormulaC12H21ClO4
Molecular Weight264.75 g/mol
Exact Mass264.11
IUPAC Name2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.CC1CO1.CC1OC1Cl
InChIInChI=1S/C6H10O2.C3H5ClO.C3H6O/c1-2-3-7-4-6-5-8-6;1-2-3(4)5-2;1-3-2-4-3/h2,6H,1,3-5H2;2-3H,1H3;3H,2H2,1H3
InChIKeyOPMMFSDVJBHRTE-UHFFFAOYSA-N
XLogP1.96
TPSA46.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-methyloxirane;2-methyloxirane;oxirane;2-(prop-2-enoxymethyl)oxirane
CID 174454487
ethene;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane
CID 174606995
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893
2-(4-prop-2-enoxybutoxymethyl)oxirane
CID 86229247
2-(prop-2-enoxymethyl)oxirane;toluene
CID 174817749
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
CID 174888667
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-1-ene
CID 23018396
(2R,4S)-2-(4-chlorophenyl)-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 40532289
2-(prop-2-enoxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 13070592
2-(penta-2,4-dienoxymethyl)oxirane
CID 141258620

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane (CID 174454485) is 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane is C=CCOCC1CO1.CC1CO1.CC1OC1Cl.
What is the InChIKey of 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is OPMMFSDVJBHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H5ClO.C3H6O/c1-2-3-7-4-6-5-8-6;1-2-3(4)5-2;1-3-2-4-3/h2,6H,1,3-5H2;2-3H,1H3;3H,2H2,1H3.
What are the key properties of 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane?
2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 264.75 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyloxirane;2-methyloxirane;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 174454485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).