methane;1-methoxybutan-2-ol

C7H20O2 — CID 161499525

IUPACmethane;1-methoxybutan-2-ol
SMILESC.C.CCC(O)COC
InChIInChI=1S/C5H12O2.2CH4/c1-3-5(6)4-7-2;;/h5-6H,3-4H2,1-2H3;2*1H4
InChIKeyWGQPMGIVGSNPLJ-UHFFFAOYSA-N
MW136.24 g/mol
LogP1.68
Rot. Bonds3

About methane;1-methoxybutan-2-ol

methane;1-methoxybutan-2-ol (PubChem CID 161499525) has the molecular formula C7H20O2 and a molecular weight of 136.24 g/mol. Its IUPAC name is methane;1-methoxybutan-2-ol.

Molecular Properties

Compound Namemethane;1-methoxybutan-2-ol
PubChem CID161499525
Molecular FormulaC7H20O2
Molecular Weight136.24 g/mol
Exact Mass136.15
IUPAC Namemethane;1-methoxybutan-2-ol
SMILESC.C.CCC(O)COC
InChIInChI=1S/C5H12O2.2CH4/c1-3-5(6)4-7-2;;/h5-6H,3-4H2,1-2H3;2*1H4
InChIKeyWGQPMGIVGSNPLJ-UHFFFAOYSA-N
XLogP1.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethoxy)butan-2-ol
CID 20514540
2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
CID 158419492
(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
1-fluoro-3-methoxypropan-2-ol
CID 53422469
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1,5-dimethoxypentane-2,4-diol
CID 88937884
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
(2S)-2-fluoro-1-methoxybutane
CID 149174257
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
1-(2-fluoroethoxy)butan-2-ol
CID 58952834

Frequently Asked Questions

What is the IUPAC name of methane;1-methoxybutan-2-ol?
The IUPAC name of methane;1-methoxybutan-2-ol (CID 161499525) is methane;1-methoxybutan-2-ol.
What is the SMILES notation for methane;1-methoxybutan-2-ol?
The canonical SMILES for methane;1-methoxybutan-2-ol is C.C.CCC(O)COC.
What is the InChIKey of methane;1-methoxybutan-2-ol?
The InChIKey is WGQPMGIVGSNPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2.2CH4/c1-3-5(6)4-7-2;;/h5-6H,3-4H2,1-2H3;2*1H4.
What are the key properties of methane;1-methoxybutan-2-ol?
methane;1-methoxybutan-2-ol has a molecular weight of 136.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methoxybutan-2-ol is sourced from PubChem (CID 161499525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).