1-methoxy-2-methyl-2-propoxybutane

C9H20O2 — CID 122692846

IUPAC1-methoxy-2-methyl-2-propoxybutane
SMILESCCCOC(C)(CC)COC
InChIInChI=1S/C9H20O2/c1-5-7-11-9(3,6-2)8-10-4/h5-8H2,1-4H3
InChIKeyPPIBDWQTNPKFQX-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds6

About 1-methoxy-2-methyl-2-propoxybutane

1-methoxy-2-methyl-2-propoxybutane (PubChem CID 122692846) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-methoxy-2-methyl-2-propoxybutane.

Molecular Properties

Compound Name1-methoxy-2-methyl-2-propoxybutane
PubChem CID122692846
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1-methoxy-2-methyl-2-propoxybutane
SMILESCCCOC(C)(CC)COC
InChIInChI=1S/C9H20O2/c1-5-7-11-9(3,6-2)8-10-4/h5-8H2,1-4H3
InChIKeyPPIBDWQTNPKFQX-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-methyl-2-propoxybutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methoxy-2-methylpropan-2-yl)oxy-3-methyl-3-propoxybutane
CID 123855545
2-methoxy-4,6-dimethyl-4-propoxyheptane
CID 135038604
1-(1,1-dipropoxyethoxy)propane
CID 21433420
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
2-(3-methylpentan-3-yloxy)ethanamine
CID 87222058
4-(1-methoxy-3-methylpentan-3-yl)oxy-2-methylbutan-2-amine
CID 142600828
1-chloro-3-iodo-2-methyl-2-propoxypropane
CID 114772009
2,2-dimethoxy-1-propoxypropane
CID 56997351
3,5-bis(methoxymethyl)-3,5-dimethylheptane
CID 21036025
1,1-dipropoxyethylsilane
CID 173115072
4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
CID 90159958
3-(methoxymethyl)-2,4-dimethyl-3-(propoxymethyl)pentane
CID 22372611

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-2-propoxybutane?
The IUPAC name of 1-methoxy-2-methyl-2-propoxybutane (CID 122692846) is 1-methoxy-2-methyl-2-propoxybutane.
What is the SMILES notation for 1-methoxy-2-methyl-2-propoxybutane?
The canonical SMILES for 1-methoxy-2-methyl-2-propoxybutane is CCCOC(C)(CC)COC.
What is the InChIKey of 1-methoxy-2-methyl-2-propoxybutane?
The InChIKey is PPIBDWQTNPKFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-7-11-9(3,6-2)8-10-4/h5-8H2,1-4H3.
What are the key properties of 1-methoxy-2-methyl-2-propoxybutane?
1-methoxy-2-methyl-2-propoxybutane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-2-propoxybutane is sourced from PubChem (CID 122692846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).