but-2-ene;2-(methoxymethyl)oxetane

C9H18O2 — CID 159937915

IUPACbut-2-ene;2-(methoxymethyl)oxetane
SMILESCC=CC.COCC1CCO1
InChIInChI=1S/C5H10O2.C4H8/c1-6-4-5-2-3-7-5;1-3-4-2/h5H,2-4H2,1H3;3-4H,1-2H3
InChIKeyOAMMJORSYFZNFW-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.00
Rot. Bonds2

About but-2-ene;2-(methoxymethyl)oxetane

but-2-ene;2-(methoxymethyl)oxetane (PubChem CID 159937915) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is but-2-ene;2-(methoxymethyl)oxetane.

Molecular Properties

Compound Namebut-2-ene;2-(methoxymethyl)oxetane
PubChem CID159937915
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namebut-2-ene;2-(methoxymethyl)oxetane
SMILESCC=CC.COCC1CCO1
InChIInChI=1S/C5H10O2.C4H8/c1-6-4-5-2-3-7-5;1-3-4-2/h5H,2-4H2,1H3;3-4H,1-2H3
InChIKeyOAMMJORSYFZNFW-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.00
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

1-Methoxy-2-(2-methoxypropoxy)propane;bis(prop-1-ene)
CID 87825364
2-(Prop-1-enoxymethyl)oxetane
CID 141062649
2-(Methoxymethyl)oxetane;prop-1-ene
CID 157069363
2-(Methoxymethyl)oxetane;3-methylbut-1-ene
CID 161601801

Frequently Asked Questions

What is the IUPAC name of but-2-ene;2-(methoxymethyl)oxetane?
The IUPAC name of but-2-ene;2-(methoxymethyl)oxetane (CID 159937915) is but-2-ene;2-(methoxymethyl)oxetane.
What is the SMILES notation for but-2-ene;2-(methoxymethyl)oxetane?
The canonical SMILES for but-2-ene;2-(methoxymethyl)oxetane is CC=CC.COCC1CCO1.
What is the InChIKey of but-2-ene;2-(methoxymethyl)oxetane?
The InChIKey is OAMMJORSYFZNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H8/c1-6-4-5-2-3-7-5;1-3-4-2/h5H,2-4H2,1H3;3-4H,1-2H3.
What are the key properties of but-2-ene;2-(methoxymethyl)oxetane?
but-2-ene;2-(methoxymethyl)oxetane has a molecular weight of 158.24 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene;2-(methoxymethyl)oxetane is sourced from PubChem (CID 159937915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).