1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane

C36H88O8 — CID 161408985

IUPAC1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane
SMILESCCCCCCOC.CCCCCOC.CCCCOC.CCCOC.CCOC.COC.COC(C)C.COCC(C)C
InChIInChI=1S/C7H16O.C6H14O.2C5H12O.2C4H10O.C3H8O.C2H6O/c1-3-4-5-6-7-8-2;1-3-4-5-6-7-2;1-5(2)4-6-3;1-3-4-5-6-2;1-4(2)5-3;1-3-4-5-2;1-3-4-2;1-3-2/h3-7H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyVVFLCQQVXAHYGV-UHFFFAOYSA-N
MW649.09 g/mol
LogP9.76
Rot. Bonds18

About 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane

1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane (PubChem CID 161408985) has the molecular formula C36H88O8 and a molecular weight of 649.09 g/mol. Its IUPAC name is 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane.

Molecular Properties

Compound Name1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane
PubChem CID161408985
Molecular FormulaC36H88O8
Molecular Weight649.09 g/mol
Exact Mass648.65
IUPAC Name1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane
SMILESCCCCCCOC.CCCCCOC.CCCCOC.CCCOC.CCOC.COC.COC(C)C.COCC(C)C
InChIInChI=1S/C7H16O.C6H14O.2C5H12O.2C4H10O.C3H8O.C2H6O/c1-3-4-5-6-7-8-2;1-3-4-5-6-7-2;1-5(2)4-6-3;1-3-4-5-6-2;1-4(2)5-3;1-3-4-5-2;1-3-4-2;1-3-2/h3-7H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyVVFLCQQVXAHYGV-UHFFFAOYSA-N
XLogP9.76
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.09
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane with MolForge

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Related Compounds

1-methoxyhexacosane
CID 20780514
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
azane;1-methoxydodecane
CID 174553670
1,2-dimethoxyethane;dimethoxymethane;1,3-dimethoxypropane;1-methoxybutane;1-methoxypentane;1-methoxypropane
CID 160976114
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
1-methoxypentane;2-methoxypentane
CID 158569369
methane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane
CID 158287890
2-methoxyethyl(trimethyl)azanium;1-methoxypropane;2-methoxypropane
CID 160720515
butane;1-(2-methoxyethoxy)-2-methylpropane;1-methoxy-2-methylpropane;1-methoxypropane;2-methylbutane
CID 157217369
bis(ethane-1,2-diol);1-methoxyheptane
CID 91824258
1-butoxy-4-methoxybutane
CID 13082830

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane?
The IUPAC name of 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane (CID 161408985) is 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane.
What is the SMILES notation for 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane?
The canonical SMILES for 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane is CCCCCCOC.CCCCCOC.CCCCOC.CCCOC.CCOC.COC.COC(C)C.COCC(C)C.
What is the InChIKey of 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane?
The InChIKey is VVFLCQQVXAHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C6H14O.2C5H12O.2C4H10O.C3H8O.C2H6O/c1-3-4-5-6-7-8-2;1-3-4-5-6-7-2;1-5(2)4-6-3;1-3-4-5-6-2;1-4(2)5-3;1-3-4-5-2;1-3-4-2;1-3-2/h3-7H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3;3-5H2,1-2H3;4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane?
1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane has a molecular weight of 649.09 g/mol, XLogP of 9.76, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybutane;methoxyethane;1-methoxyhexane;methoxymethane;1-methoxy-2-methylpropane;1-methoxypentane;1-methoxypropane;2-methoxypropane is sourced from PubChem (CID 161408985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).