1-(methoxymethoxy)-5,5-dipropoxypent-1-ene

C13H26O4 — CID 162392404

IUPAC1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
SMILESCCCOC(CCC=COCOC)OCCC
InChIInChI=1S/C13H26O4/c1-4-9-16-13(17-10-5-2)8-6-7-11-15-12-14-3/h7,11,13H,4-6,8-10,12H2,1-3H3
InChIKeyUPDKGOBSBQTDAC-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds12

About 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene

1-(methoxymethoxy)-5,5-dipropoxypent-1-ene (PubChem CID 162392404) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene.

Molecular Properties

Compound Name1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
PubChem CID162392404
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name1-(methoxymethoxy)-5,5-dipropoxypent-1-ene
SMILESCCCOC(CCC=COCOC)OCCC
InChIInChI=1S/C13H26O4/c1-4-9-16-13(17-10-5-2)8-6-7-11-15-12-14-3/h7,11,13H,4-6,8-10,12H2,1-3H3
InChIKeyUPDKGOBSBQTDAC-UHFFFAOYSA-N
XLogP3.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(5,5-dipropoxypent-1-enoxymethoxy)octane
CID 162392746
11,11-diheptoxy-1-(methoxymethoxy)undec-1-ene
CID 162392525
1-(methoxymethoxy)-17,17-di(nonoxy)heptadec-1-ene
CID 163205855
1-[7-(methoxymethoxy)-1-nonoxyhept-6-enoxy]nonane
CID 162392344
7,7-diheptoxy-1-(methoxymethoxy)hept-1-ene
CID 162392781
9,9-dihexoxy-1-(methoxymethoxy)non-1-ene
CID 162392647
7,7-dihexoxy-1-(methoxymethoxy)hept-1-ene
CID 162392753
7,7-dipropoxy-1-(propoxymethoxy)hept-1-ene
CID 162392591
1-(5,5-dihexoxypent-1-enoxymethoxy)octane
CID 162392615
11,11-diethoxy-1-(methoxymethoxy)undec-1-ene
CID 162392533
14,14-dipentoxy-1-(propoxymethoxy)tetradec-1-ene
CID 163205523
1-(methoxymethoxy)hexadec-1-ene
CID 175225374

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene?
The IUPAC name of 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene (CID 162392404) is 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene.
What is the SMILES notation for 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene?
The canonical SMILES for 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene is CCCOC(CCC=COCOC)OCCC.
What is the InChIKey of 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene?
The InChIKey is UPDKGOBSBQTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-4-9-16-13(17-10-5-2)8-6-7-11-15-12-14-3/h7,11,13H,4-6,8-10,12H2,1-3H3.
What are the key properties of 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene?
1-(methoxymethoxy)-5,5-dipropoxypent-1-ene has a molecular weight of 246.35 g/mol, XLogP of 3.08, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-5,5-dipropoxypent-1-ene is sourced from PubChem (CID 162392404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).