methane;1-(2-methoxyethoxy)butane;propan-1-ol

C12H32O3 — CID 167623452

IUPACmethane;1-(2-methoxyethoxy)butane;propan-1-ol
SMILESC.C.CCCCOCCOC.CCCO
InChIInChI=1S/C7H16O2.C3H8O.2CH4/c1-3-4-5-9-7-6-8-2;1-2-3-4;;/h3-7H2,1-2H3;4H,2-3H2,1H3;2*1H4
InChIKeyMTKTYHYOCGGIPH-UHFFFAOYSA-N
MW224.38 g/mol
LogP3.11
Rot. Bonds7

About methane;1-(2-methoxyethoxy)butane;propan-1-ol

methane;1-(2-methoxyethoxy)butane;propan-1-ol (PubChem CID 167623452) has the molecular formula C12H32O3 and a molecular weight of 224.38 g/mol. Its IUPAC name is methane;1-(2-methoxyethoxy)butane;propan-1-ol.

Molecular Properties

Compound Namemethane;1-(2-methoxyethoxy)butane;propan-1-ol
PubChem CID167623452
Molecular FormulaC12H32O3
Molecular Weight224.38 g/mol
Exact Mass224.24
IUPAC Namemethane;1-(2-methoxyethoxy)butane;propan-1-ol
SMILESC.C.CCCCOCCOC.CCCO
InChIInChI=1S/C7H16O2.C3H8O.2CH4/c1-3-4-5-9-7-6-8-2;1-2-3-4;;/h3-7H2,1-2H3;4H,2-3H2,1H3;2*1H4
InChIKeyMTKTYHYOCGGIPH-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
1-[2-(2-butoxyethoxy)ethoxy]butane;1-[2-(2-methoxyethoxy)ethoxy]pentane
CID 157339506
1-[2-(2-butoxyethoxy)ethoxy]butane;1-methoxybutane
CID 174801496
1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
CID 175360949
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
ethane;ethanol;1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane;1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]butane;yttrium
CID 158560993
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
2-(2-butoxyethoxy)ethanol;ethane-1,2-diol
CID 18459544
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptane
CID 44593867
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 175220502
1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecane
CID 102000806

Frequently Asked Questions

What is the IUPAC name of methane;1-(2-methoxyethoxy)butane;propan-1-ol?
The IUPAC name of methane;1-(2-methoxyethoxy)butane;propan-1-ol (CID 167623452) is methane;1-(2-methoxyethoxy)butane;propan-1-ol.
What is the SMILES notation for methane;1-(2-methoxyethoxy)butane;propan-1-ol?
The canonical SMILES for methane;1-(2-methoxyethoxy)butane;propan-1-ol is C.C.CCCCOCCOC.CCCO.
What is the InChIKey of methane;1-(2-methoxyethoxy)butane;propan-1-ol?
The InChIKey is MTKTYHYOCGGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C3H8O.2CH4/c1-3-4-5-9-7-6-8-2;1-2-3-4;;/h3-7H2,1-2H3;4H,2-3H2,1H3;2*1H4.
What are the key properties of methane;1-(2-methoxyethoxy)butane;propan-1-ol?
methane;1-(2-methoxyethoxy)butane;propan-1-ol has a molecular weight of 224.38 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(2-methoxyethoxy)butane;propan-1-ol is sourced from PubChem (CID 167623452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).