1-(methoxymethoxy)propa-1,2-diene

C5H8O2 — CID 10986163

IUPAC1-(methoxymethoxy)propa-1,2-diene
SMILESC=C=COCOC
InChIInChI=1S/C5H8O2/c1-3-4-7-5-6-2/h4H,1,5H2,2H3
InChIKeyCCMGIDALERUKJR-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.91
Rot. Bonds3

About 1-(methoxymethoxy)propa-1,2-diene

1-(methoxymethoxy)propa-1,2-diene (PubChem CID 10986163) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 1-(methoxymethoxy)propa-1,2-diene.

Molecular Properties

Compound Name1-(methoxymethoxy)propa-1,2-diene
PubChem CID10986163
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name1-(methoxymethoxy)propa-1,2-diene
SMILESC=C=COCOC
InChIInChI=1S/C5H8O2/c1-3-4-7-5-6-2/h4H,1,5H2,2H3
InChIKeyCCMGIDALERUKJR-UHFFFAOYSA-N
XLogP0.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propene, 1,1-diethoxy-
CID 140841
(Methoxymethoxy)ethene
CID 13511345
Ethene, trimethoxy-
CID 10997011
Divinyloxypropene
CID 129742392
Dimethyl(E)-1-propenyl orthoformate
CID 5463430
(E)-1-Methoxymethoxy-propene
CID 11296879
1-(Methoxymethoxy)prop-1-ene
CID 522041
1-(Prop-1-enoxymethoxy)prop-1-ene
CID 73823024
Butane;1,3-dioxole
CID 160808725
Lithium 1-(methoxymethoxy)propa-1,2-diene
CID 11116004
1,2-Propadiene, 1-(1-ethoxyethoxy)-
CID 11366998
1-Lithio-1-(1-ethoxyethoxy)allene
CID 14250366

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)propa-1,2-diene?
The IUPAC name of 1-(methoxymethoxy)propa-1,2-diene (CID 10986163) is 1-(methoxymethoxy)propa-1,2-diene.
What is the SMILES notation for 1-(methoxymethoxy)propa-1,2-diene?
The canonical SMILES for 1-(methoxymethoxy)propa-1,2-diene is C=C=COCOC.
What is the InChIKey of 1-(methoxymethoxy)propa-1,2-diene?
The InChIKey is CCMGIDALERUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-3-4-7-5-6-2/h4H,1,5H2,2H3.
What are the key properties of 1-(methoxymethoxy)propa-1,2-diene?
1-(methoxymethoxy)propa-1,2-diene has a molecular weight of 100.12 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)propa-1,2-diene is sourced from PubChem (CID 10986163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).