methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate

C10H25ClO6 — CID 159147604

IUPACmethane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate
SMILESC.C.CO.COC(=O)CCl.COCC(=O)OC
InChIInChI=1S/C4H8O3.C3H5ClO2.CH4O.2CH4/c1-6-3-4(5)7-2;1-6-3(5)2-4;1-2;;/h3H2,1-2H3;2H2,1H3;2H,1H3;2*1H4
InChIKeyKIWOUFSKPUXCGD-UHFFFAOYSA-N
MW276.76 g/mol
LogP1.08
Rot. Bonds3

About methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate

methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate (PubChem CID 159147604) has the molecular formula C10H25ClO6 and a molecular weight of 276.76 g/mol. Its IUPAC name is methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate.

Molecular Properties

Compound Namemethane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate
PubChem CID159147604
Molecular FormulaC10H25ClO6
Molecular Weight276.76 g/mol
Exact Mass276.13
IUPAC Namemethane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate
SMILESC.C.CO.COC(=O)CCl.COCC(=O)OC
InChIInChI=1S/C4H8O3.C3H5ClO2.CH4O.2CH4/c1-6-3-4(5)7-2;1-6-3(5)2-4;1-2;;/h3H2,1-2H3;2H2,1H3;2H,1H3;2*1H4
InChIKeyKIWOUFSKPUXCGD-UHFFFAOYSA-N
XLogP1.08
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
2-chloroacetic acid;2-methoxyacetic acid
CID 162031776
methyl 2-(methylaminooxy)acetate
CID 87955923
N'-(2-chloroacetyl)-2-methoxyacetohydrazide
CID 71758393
methyl 2-(2-chloroethoxy)acetate
CID 15337474
[(1-amino-2-chloroethylidene)amino] 2-methoxyacetate
CID 112756172
CID 172843337
CID 172843337
methyl 2-(methoxymethoxy)acetate
CID 11018922
bis(2-hydroxy-N-methylacetamide);methanamine;methane;methanol;(2-methoxy-2-oxoethyl) 2-methoxyacetate;[2-(methylamino)-2-oxoethyl] 2-methoxyacetate;bis(methyl 2-hydroxyacetate);bis(methyl 2-methoxyacetate)
CID 158855811
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
methyl 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694163

Frequently Asked Questions

What is the IUPAC name of methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate?
The IUPAC name of methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate (CID 159147604) is methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate.
What is the SMILES notation for methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate?
The canonical SMILES for methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate is C.C.CO.COC(=O)CCl.COCC(=O)OC.
What is the InChIKey of methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate?
The InChIKey is KIWOUFSKPUXCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C3H5ClO2.CH4O.2CH4/c1-6-3-4(5)7-2;1-6-3(5)2-4;1-2;;/h3H2,1-2H3;2H2,1H3;2H,1H3;2*1H4.
What are the key properties of methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate?
methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate has a molecular weight of 276.76 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanol;methyl 2-chloroacetate;methyl 2-methoxyacetate is sourced from PubChem (CID 159147604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).