1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane

C71H154O13 — CID 165019607

IUPAC1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane
SMILESC=CCCOCCOCCCCC.CC(C)COCC(C)C.CC(C)COCCCCOCC(C)OCC(C)C.CC(C)COCCOCC(C)OCC(C)C.CCCCCOCCCCC.CCCOCCC.CCCOCCOCCC
InChIInChI=1S/C15H32O3.C13H28O3.C11H22O2.C10H22O.C8H18O2.C8H18O.C6H14O/c1-13(2)10-16-8-6-7-9-17-12-15(5)18-11-14(3)4;1-11(2)8-14-6-7-15-10-13(5)16-9-12(3)4;1-3-5-7-9-13-11-10-12-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-9-7-8-10-6-4-2;1-7(2)5-9-6-8(3)4;1-3-5-7-6-4-2/h13-15H,6-12H2,1-5H3;11-13H,6-10H2,1-5H3;4H,2-3,5-11H2,1H3;3-10H2,1-2H3;3-8H2,1-2H3;7-8H,5-6H2,1-4H3;3-6H2,1-2H3
InChIKeyKYQSDNDIANQERK-UHFFFAOYSA-N
MW1216.00 g/mol
LogP18.40
Rot. Bonds55

About 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane

1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane (PubChem CID 165019607) has the molecular formula C71H154O13 and a molecular weight of 1216.00 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane.

Molecular Properties

Compound Name1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane
PubChem CID165019607
Molecular FormulaC71H154O13
Molecular Weight1216.00 g/mol
Exact Mass1215.14
IUPAC Name1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane
SMILESC=CCCOCCOCCCCC.CC(C)COCC(C)C.CC(C)COCCCCOCC(C)OCC(C)C.CC(C)COCCOCC(C)OCC(C)C.CCCCCOCCCCC.CCCOCCC.CCCOCCOCCC
InChIInChI=1S/C15H32O3.C13H28O3.C11H22O2.C10H22O.C8H18O2.C8H18O.C6H14O/c1-13(2)10-16-8-6-7-9-17-12-15(5)18-11-14(3)4;1-11(2)8-14-6-7-15-10-13(5)16-9-12(3)4;1-3-5-7-9-13-11-10-12-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-9-7-8-10-6-4-2;1-7(2)5-9-6-8(3)4;1-3-5-7-6-4-2/h13-15H,6-12H2,1-5H3;11-13H,6-10H2,1-5H3;4H,2-3,5-11H2,1H3;3-10H2,1-2H3;3-8H2,1-2H3;7-8H,5-6H2,1-4H3;3-6H2,1-2H3
InChIKeyKYQSDNDIANQERK-UHFFFAOYSA-N
XLogP18.40
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds55
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.00
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane?
The IUPAC name of 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane (CID 165019607) is 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane.
What is the SMILES notation for 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane?
The canonical SMILES for 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane is C=CCCOCCOCCCCC.CC(C)COCC(C)C.CC(C)COCCCCOCC(C)OCC(C)C.CC(C)COCCOCC(C)OCC(C)C.CCCCCOCCCCC.CCCOCCC.CCCOCCOCCC.
What is the InChIKey of 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane?
The InChIKey is KYQSDNDIANQERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3.C13H28O3.C11H22O2.C10H22O.C8H18O2.C8H18O.C6H14O/c1-13(2)10-16-8-6-7-9-17-12-15(5)18-11-14(3)4;1-11(2)8-14-6-7-15-10-13(5)16-9-12(3)4;1-3-5-7-9-13-11-10-12-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2;1-3-5-9-7-8-10-6-4-2;1-7(2)5-9-6-8(3)4;1-3-5-7-6-4-2/h13-15H,6-12H2,1-5H3;11-13H,6-10H2,1-5H3;4H,2-3,5-11H2,1H3;3-10H2,1-2H3;3-8H2,1-2H3;7-8H,5-6H2,1-4H3;3-6H2,1-2H3.
What are the key properties of 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane?
1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane has a molecular weight of 1216.00 g/mol, XLogP of 18.40, 55 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethoxy)pentane;2-methyl-1-(2-methylpropoxy)propane;2-methyl-1-[2-[2-(2-methylpropoxy)propoxy]ethoxy]propane;1-(2-methylpropoxy)-4-[2-(2-methylpropoxy)propoxy]butane;1-pentoxypentane;1-(2-propoxyethoxy)propane;1-propoxypropane is sourced from PubChem (CID 165019607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).