methane;2-methoxy-3-(2-methoxyethoxy)butane

C12H34O3 — CID 161202755

IUPACmethane;2-methoxy-3-(2-methoxyethoxy)butane
SMILESC.C.C.C.COCCOC(C)C(C)OC
InChIInChI=1S/C8H18O3.4CH4/c1-7(10-4)8(2)11-6-5-9-3;;;;/h7-8H,5-6H2,1-4H3;4*1H4
InChIKeyUVEUZLPHWSRIMP-UHFFFAOYSA-N
MW226.40 g/mol
LogP3.62
Rot. Bonds6

About methane;2-methoxy-3-(2-methoxyethoxy)butane

methane;2-methoxy-3-(2-methoxyethoxy)butane (PubChem CID 161202755) has the molecular formula C12H34O3 and a molecular weight of 226.40 g/mol. Its IUPAC name is methane;2-methoxy-3-(2-methoxyethoxy)butane.

Molecular Properties

Compound Namemethane;2-methoxy-3-(2-methoxyethoxy)butane
PubChem CID161202755
Molecular FormulaC12H34O3
Molecular Weight226.40 g/mol
Exact Mass226.25
IUPAC Namemethane;2-methoxy-3-(2-methoxyethoxy)butane
SMILESC.C.C.C.COCCOC(C)C(C)OC
InChIInChI=1S/C8H18O3.4CH4/c1-7(10-4)8(2)11-6-5-9-3;;;;/h7-8H,5-6H2,1-4H3;4*1H4
InChIKeyUVEUZLPHWSRIMP-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-[3-[3-[3-[3-[3-(3-methoxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]ethyl dihydrogen phosphate
CID 169309073
2-(3-methoxybutan-2-yloxy)ethyl hydrogen sulfate
CID 155771758
1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
ethane;2-(2-methoxyethoxy)butane
CID 168922397
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
(2R)-2-(2-methoxyethoxy)propan-1-ol
CID 118089106
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
(2R,3R)-2,3-dipropoxybutane
CID 118445331
1,2-dimethoxyethane;ethane
CID 91349162
1,2-dimethoxyethane;samarium
CID 174304250
N-[2-(2-methoxyethoxy)propyl]pentan-3-amine
CID 62567271

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxy-3-(2-methoxyethoxy)butane?
The IUPAC name of methane;2-methoxy-3-(2-methoxyethoxy)butane (CID 161202755) is methane;2-methoxy-3-(2-methoxyethoxy)butane.
What is the SMILES notation for methane;2-methoxy-3-(2-methoxyethoxy)butane?
The canonical SMILES for methane;2-methoxy-3-(2-methoxyethoxy)butane is C.C.C.C.COCCOC(C)C(C)OC.
What is the InChIKey of methane;2-methoxy-3-(2-methoxyethoxy)butane?
The InChIKey is UVEUZLPHWSRIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3.4CH4/c1-7(10-4)8(2)11-6-5-9-3;;;;/h7-8H,5-6H2,1-4H3;4*1H4.
What are the key properties of methane;2-methoxy-3-(2-methoxyethoxy)butane?
methane;2-methoxy-3-(2-methoxyethoxy)butane has a molecular weight of 226.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxy-3-(2-methoxyethoxy)butane is sourced from PubChem (CID 161202755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).