1-(methoxymethoxy)but-2-ene

C6H12O2 — CID 10329290

IUPAC1-(methoxymethoxy)but-2-ene
SMILESCC=CCOCOC
InChIInChI=1S/C6H12O2/c1-3-4-5-8-6-7-2/h3-4H,5-6H2,1-2H3
InChIKeyQAHPBDHUXXJFOP-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.18
Rot. Bonds4

About 1-(methoxymethoxy)but-2-ene

1-(methoxymethoxy)but-2-ene (PubChem CID 10329290) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(methoxymethoxy)but-2-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)but-2-ene
PubChem CID10329290
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-(methoxymethoxy)but-2-ene
SMILESCC=CCOCOC
InChIInChI=1S/C6H12O2/c1-3-4-5-8-6-7-2/h3-4H,5-6H2,1-2H3
InChIKeyQAHPBDHUXXJFOP-UHFFFAOYSA-N
XLogP1.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)but-2-ene?
The IUPAC name of 1-(methoxymethoxy)but-2-ene (CID 10329290) is 1-(methoxymethoxy)but-2-ene.
What is the SMILES notation for 1-(methoxymethoxy)but-2-ene?
The canonical SMILES for 1-(methoxymethoxy)but-2-ene is CC=CCOCOC.
What is the InChIKey of 1-(methoxymethoxy)but-2-ene?
The InChIKey is QAHPBDHUXXJFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-5-8-6-7-2/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)but-2-ene?
1-(methoxymethoxy)but-2-ene has a molecular weight of 116.16 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)but-2-ene is sourced from PubChem (CID 10329290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).