methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane

C17H44O5 — CID 157097791

IUPACmethane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
SMILESC.C.CCC(CO)COC.CCC(CO)OC.CCCOC
InChIInChI=1S/C6H14O2.C5H12O2.C4H10O.2CH4/c1-3-6(4-7)5-8-2;1-3-5(4-6)7-2;1-3-4-5-2;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyAFKGZHYXOACENK-UHFFFAOYSA-N
MW328.53 g/mol
LogP3.37
Rot. Bonds9

About methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane

methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane (PubChem CID 157097791) has the molecular formula C17H44O5 and a molecular weight of 328.53 g/mol. Its IUPAC name is methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane.

Molecular Properties

Compound Namemethane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
PubChem CID157097791
Molecular FormulaC17H44O5
Molecular Weight328.53 g/mol
Exact Mass328.32
IUPAC Namemethane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
SMILESC.C.CCC(CO)COC.CCC(CO)OC.CCCOC
InChIInChI=1S/C6H14O2.C5H12O2.C4H10O.2CH4/c1-3-6(4-7)5-8-2;1-3-5(4-6)7-2;1-3-4-5-2;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*1H4
InChIKeyAFKGZHYXOACENK-UHFFFAOYSA-N
XLogP3.37
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxypentane;1-methoxypropane
CID 54391478
ethane;2-methoxybutan-1-ol
CID 174440725
2-ethyl-4-methoxybutan-1-ol
CID 66058779
1-methoxy-2-(methoxymethyl)butane
CID 23295181
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
2-ethyl-5-methoxypentan-1-ol
CID 66059836
methane;1-methoxypropane;propan-1-ol;yttrium
CID 162194341
1-methoxypropane;propane-1,1-diol
CID 174611080
2-(butoxymethyl)butan-1-ol
CID 20660357
4-(bromomethyl)-1,2-dimethoxyhexane
CID 165442725
1,2-dimethoxybutane;1,3-dimethoxy-2-methylpropane;methane;2-methoxybutan-1-ol;3-methoxy-2-methylpropan-1-ol;3-methoxypentan-2-one
CID 159413366
1,2-dimethoxypentane
CID 22961171

Frequently Asked Questions

What is the IUPAC name of methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?
The IUPAC name of methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane (CID 157097791) is methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane.
What is the SMILES notation for methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?
The canonical SMILES for methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane is C.C.CCC(CO)COC.CCC(CO)OC.CCCOC.
What is the InChIKey of methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?
The InChIKey is AFKGZHYXOACENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C5H12O2.C4H10O.2CH4/c1-3-6(4-7)5-8-2;1-3-5(4-6)7-2;1-3-4-5-2;;/h6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;3-4H2,1-2H3;2*1H4.
What are the key properties of methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane?
methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane has a molecular weight of 328.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane is sourced from PubChem (CID 157097791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).