methane;1-methoxy-2-methylbutane

C10H30O — CID 159281556

IUPACmethane;1-methoxy-2-methylbutane
SMILESC.C.C.C.CCC(C)COC
InChIInChI=1S/C6H14O.4CH4/c1-4-6(2)5-7-3;;;;/h6H,4-5H2,1-3H3;4*1H4
InChIKeyKYZCPAXTUGFCSK-UHFFFAOYSA-N
MW166.35 g/mol
LogP4.22
Rot. Bonds3

About methane;1-methoxy-2-methylbutane

methane;1-methoxy-2-methylbutane (PubChem CID 159281556) has the molecular formula C10H30O and a molecular weight of 166.35 g/mol. Its IUPAC name is methane;1-methoxy-2-methylbutane.

Molecular Properties

Compound Namemethane;1-methoxy-2-methylbutane
PubChem CID159281556
Molecular FormulaC10H30O
Molecular Weight166.35 g/mol
Exact Mass166.23
IUPAC Namemethane;1-methoxy-2-methylbutane
SMILESC.C.C.C.CCC(C)COC
InChIInChI=1S/C6H14O.4CH4/c1-4-6(2)5-7-3;;;;/h6H,4-5H2,1-3H3;4*1H4
InChIKeyKYZCPAXTUGFCSK-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methoxy-2-methylbutane;propane
CID 143686071
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312
2-methyl-1-(2-methylbutoxy)butane
CID 4584641
1-methoxy-2,22-dimethyltetracosane
CID 86173032
butan-2-amine;methoxymethane;1-methoxy-2-methylbutane;1-methoxy-2-methylpropane
CID 160861824
1-methoxy-2,4,5-trimethylheptane
CID 177138936
1-methoxy-N,2,6-trimethyloctan-4-amine
CID 105138500
methane;3-methylpentane
CID 153359275
methane;3-methylpentane
CID 157218592
1,2-dimethoxy-4-methylhexane
CID 123627097
3-methoxy-2-methylpropane-1-thiol
CID 21429472
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxy-2-methylbutane?
The IUPAC name of methane;1-methoxy-2-methylbutane (CID 159281556) is methane;1-methoxy-2-methylbutane.
What is the SMILES notation for methane;1-methoxy-2-methylbutane?
The canonical SMILES for methane;1-methoxy-2-methylbutane is C.C.C.C.CCC(C)COC.
What is the InChIKey of methane;1-methoxy-2-methylbutane?
The InChIKey is KYZCPAXTUGFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.4CH4/c1-4-6(2)5-7-3;;;;/h6H,4-5H2,1-3H3;4*1H4.
What are the key properties of methane;1-methoxy-2-methylbutane?
methane;1-methoxy-2-methylbutane has a molecular weight of 166.35 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxy-2-methylbutane is sourced from PubChem (CID 159281556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).