1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane

C15H36O — CID 158816620

IUPAC1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
SMILESCC(C)C.CCC(C)C.COCCC(C)C
InChIInChI=1S/C6H14O.C5H12.C4H10/c1-6(2)4-5-7-3;1-4-5(2)3;1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyIVIVHGCDCDRELL-UHFFFAOYSA-N
MW232.45 g/mol
LogP5.39
Rot. Bonds4

About 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane

1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane (PubChem CID 158816620) has the molecular formula C15H36O and a molecular weight of 232.45 g/mol. Its IUPAC name is 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane.

Molecular Properties

Compound Name1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
PubChem CID158816620
Molecular FormulaC15H36O
Molecular Weight232.45 g/mol
Exact Mass232.28
IUPAC Name1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
SMILESCC(C)C.CCC(C)C.COCCC(C)C
InChIInChI=1S/C6H14O.C5H12.C4H10/c1-6(2)4-5-7-3;1-4-5(2)3;1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3
InChIKeyIVIVHGCDCDRELL-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.45
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methoxy-3-methylbutane
CID 144580604
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
3-ethyl-5-methoxypentan-2-amine
CID 61000817
1-methoxy-3,10-dimethylundecane
CID 154134706
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
3-fluoro-1-methoxypentane
CID 159134850
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
1-methoxypentane-3-thiol
CID 21429489
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612
(1-methoxy-4-methylhexan-3-yl)hydrazine
CID 105206462
1-methoxy-4,8-dimethylnonane
CID 90974533

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane?
The IUPAC name of 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane (CID 158816620) is 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane.
What is the SMILES notation for 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane?
The canonical SMILES for 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane is CC(C)C.CCC(C)C.COCCC(C)C.
What is the InChIKey of 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane?
The InChIKey is IVIVHGCDCDRELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H12.C4H10/c1-6(2)4-5-7-3;1-4-5(2)3;1-4(2)3/h6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3.
What are the key properties of 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane?
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane has a molecular weight of 232.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane is sourced from PubChem (CID 158816620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).