but-1-ene;3-(methoxymethyl)-3-methyloxetane

C10H20O2 — CID 159175091

IUPACbut-1-ene;3-(methoxymethyl)-3-methyloxetane
SMILESC=CCC.COCC1(C)COC1
InChIInChI=1S/C6H12O2.C4H8/c1-6(3-7-2)4-8-5-6;1-3-4-2/h3-5H2,1-2H3;3H,1,4H2,2H3
InChIKeyKMEGITBECJKCTK-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.25
Rot. Bonds3

About but-1-ene;3-(methoxymethyl)-3-methyloxetane

but-1-ene;3-(methoxymethyl)-3-methyloxetane (PubChem CID 159175091) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is but-1-ene;3-(methoxymethyl)-3-methyloxetane.

Molecular Properties

Compound Namebut-1-ene;3-(methoxymethyl)-3-methyloxetane
PubChem CID159175091
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namebut-1-ene;3-(methoxymethyl)-3-methyloxetane
SMILESC=CCC.COCC1(C)COC1
InChIInChI=1S/C6H12O2.C4H8/c1-6(3-7-2)4-8-5-6;1-3-4-2/h3-5H2,1-2H3;3H,1,4H2,2H3
InChIKeyKMEGITBECJKCTK-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3-(methoxymethyl)oxetane;3-(methoxymethyl)-3-methyloxetane
CID 159055138
3-methyl-3-(pent-4-enoxymethyl)oxetane
CID 154121324
but-1-ene;3-methoxyprop-1-ene
CID 157168477
ethane;5-(methoxymethyl)-5-methyl-1,3-dioxane;1,4-xylene
CID 143729265
3-(6-methoxyhexoxymethyl)-3-methyloxetane
CID 59747426
1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
CID 20689593
dimethoxy-methyl-[(3-methyloxetan-3-yl)methoxymethyl]silane
CID 18715864
ethane;1-ethenyl-1-methylcyclopentane;1-(methoxymethyl)-1-methylcyclopentane
CID 143788667
bis[(3-methyloxetan-3-yl)methyl] (E)-but-2-enedioate
CID 90456001
3-(methoxymethyl)oxetane-3-carbaldehyde
CID 167724786
3-(methoxymethyl)oxetan-3-ol
CID 105427130
5-methyl-5-[(5-methyl-1,3-dioxan-5-yl)methoxymethyl]-1,3-dioxane
CID 130368124

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3-(methoxymethyl)-3-methyloxetane?
The IUPAC name of but-1-ene;3-(methoxymethyl)-3-methyloxetane (CID 159175091) is but-1-ene;3-(methoxymethyl)-3-methyloxetane.
What is the SMILES notation for but-1-ene;3-(methoxymethyl)-3-methyloxetane?
The canonical SMILES for but-1-ene;3-(methoxymethyl)-3-methyloxetane is C=CCC.COCC1(C)COC1.
What is the InChIKey of but-1-ene;3-(methoxymethyl)-3-methyloxetane?
The InChIKey is KMEGITBECJKCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H8/c1-6(3-7-2)4-8-5-6;1-3-4-2/h3-5H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;3-(methoxymethyl)-3-methyloxetane?
but-1-ene;3-(methoxymethyl)-3-methyloxetane has a molecular weight of 172.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-(methoxymethyl)-3-methyloxetane is sourced from PubChem (CID 159175091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).