methane;2-methoxybutane

C8H24O — CID 162124465

IUPACmethane;2-methoxybutane
SMILESC.C.C.CCC(C)OC
InChIInChI=1S/C5H12O.3CH4/c1-4-5(2)6-3;;;/h5H,4H2,1-3H3;3*1H4
InChIKeyZHVOMSJGRHXDLC-UHFFFAOYSA-N
MW136.28 g/mol
LogP3.34
Rot. Bonds2

About methane;2-methoxybutane

methane;2-methoxybutane (PubChem CID 162124465) has the molecular formula C8H24O and a molecular weight of 136.28 g/mol. Its IUPAC name is methane;2-methoxybutane.

Molecular Properties

Compound Namemethane;2-methoxybutane
PubChem CID162124465
Molecular FormulaC8H24O
Molecular Weight136.28 g/mol
Exact Mass136.18
IUPAC Namemethane;2-methoxybutane
SMILESC.C.C.CCC(C)OC
InChIInChI=1S/C5H12O.3CH4/c1-4-5(2)6-3;;;/h5H,4H2,1-3H3;3*1H4
InChIKeyZHVOMSJGRHXDLC-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
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CID 90978472
(3R,4R)-3,4-dimethylhexane;methane
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CID 162220733
azane;2-butan-2-yloxybutane
CID 87187028
butan-2-yloxymercury
CID 144602861
methanol;5-methoxyhexan-3-ol
CID 171659791
2-deuterio-2-methoxybutane
CID 59893079
CID 173228118
CID 173228118

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxybutane?
The IUPAC name of methane;2-methoxybutane (CID 162124465) is methane;2-methoxybutane.
What is the SMILES notation for methane;2-methoxybutane?
The canonical SMILES for methane;2-methoxybutane is C.C.C.CCC(C)OC.
What is the InChIKey of methane;2-methoxybutane?
The InChIKey is ZHVOMSJGRHXDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.3CH4/c1-4-5(2)6-3;;;/h5H,4H2,1-3H3;3*1H4.
What are the key properties of methane;2-methoxybutane?
methane;2-methoxybutane has a molecular weight of 136.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxybutane is sourced from PubChem (CID 162124465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).