1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane

C8H16Cl2O2 — CID 160539452

IUPAC1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane
SMILESCOCC(C)CCl.ClCC1CO1
InChIInChI=1S/C5H11ClO.C3H5ClO/c1-5(3-6)4-7-2;4-1-3-2-5-3/h5H,3-4H2,1-2H3;3H,1-2H2
InChIKeyQWOZRVZJWWODAC-UHFFFAOYSA-N
MW215.12 g/mol
LogP2.13
Rot. Bonds4

About 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane

1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane (PubChem CID 160539452) has the molecular formula C8H16Cl2O2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane.

Molecular Properties

Compound Name1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane
PubChem CID160539452
Molecular FormulaC8H16Cl2O2
Molecular Weight215.12 g/mol
Exact Mass214.05
IUPAC Name1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane
SMILESCOCC(C)CCl.ClCC1CO1
InChIInChI=1S/C5H11ClO.C3H5ClO/c1-5(3-6)4-7-2;4-1-3-2-5-3/h5H,3-4H2,1-2H3;3H,1-2H2
InChIKeyQWOZRVZJWWODAC-UHFFFAOYSA-N
XLogP2.13
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-2-methylpropyl)oxirane
CID 54363358
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
bis(1-chloro-2,3-dimethoxypropane);2-methyloxirane
CID 159808869
butane;2-(chloromethyl)oxirane
CID 174952392
1-chloro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane
CID 104561148
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
CID 173012465
(2R)-2-[(2R)-1-methoxypropan-2-yl]oxirane
CID 123779064
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
2-(chloromethyl)oxirane;3-(2,3-dihydroxypropylperoxy)propane-1,2-diol
CID 174844944
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane?
The IUPAC name of 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane (CID 160539452) is 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane.
What is the SMILES notation for 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane?
The canonical SMILES for 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane is COCC(C)CCl.ClCC1CO1.
What is the InChIKey of 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane?
The InChIKey is QWOZRVZJWWODAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO.C3H5ClO/c1-5(3-6)4-7-2;4-1-3-2-5-3/h5H,3-4H2,1-2H3;3H,1-2H2.
What are the key properties of 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane?
1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane has a molecular weight of 215.12 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methoxy-2-methylpropane;2-(chloromethyl)oxirane is sourced from PubChem (CID 160539452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).