1,3-bis(propoxymethoxy)propane;methane

C13H32O4 — CID 164971527

IUPAC1,3-bis(propoxymethoxy)propane;methane
SMILESC.C.CCCOCOCCCOCOCCC
InChIInChI=1S/C11H24O4.2CH4/c1-3-6-12-10-14-8-5-9-15-11-13-7-4-2;;/h3-11H2,1-2H3;2*1H4
InChIKeyDEMUPPZSCKIBSW-UHFFFAOYSA-N
MW252.39 g/mol
LogP3.45
Rot. Bonds12

About 1,3-bis(propoxymethoxy)propane;methane

1,3-bis(propoxymethoxy)propane;methane (PubChem CID 164971527) has the molecular formula C13H32O4 and a molecular weight of 252.39 g/mol. Its IUPAC name is 1,3-bis(propoxymethoxy)propane;methane.

Molecular Properties

Compound Name1,3-bis(propoxymethoxy)propane;methane
PubChem CID164971527
Molecular FormulaC13H32O4
Molecular Weight252.39 g/mol
Exact Mass252.23
IUPAC Name1,3-bis(propoxymethoxy)propane;methane
SMILESC.C.CCCOCOCCCOCOCCC
InChIInChI=1S/C11H24O4.2CH4/c1-3-6-12-10-14-8-5-9-15-11-13-7-4-2;;/h3-11H2,1-2H3;2*1H4
InChIKeyDEMUPPZSCKIBSW-UHFFFAOYSA-N
XLogP3.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
CID 165051795
3-(propoxymethoxy)propan-1-amine
CID 87914264
methane;1-propoxybutane
CID 162202436
lithium 1-(propoxymethoxy)pentane
CID 172535115
azane;1-propoxybutane
CID 87292575
1-[3-[3-(1,5-dipropoxypentoxy)propoxymethoxymethoxy]propoxy]-1,5-dipropoxypentane
CID 175177315
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
CID 158068690
1-ethoxypropane;methane
CID 158784820
ethane;1-(2-propoxyethoxy)butane
CID 164535746
pentane;1-propoxypentane
CID 174500651

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(propoxymethoxy)propane;methane?
The IUPAC name of 1,3-bis(propoxymethoxy)propane;methane (CID 164971527) is 1,3-bis(propoxymethoxy)propane;methane.
What is the SMILES notation for 1,3-bis(propoxymethoxy)propane;methane?
The canonical SMILES for 1,3-bis(propoxymethoxy)propane;methane is C.C.CCCOCOCCCOCOCCC.
What is the InChIKey of 1,3-bis(propoxymethoxy)propane;methane?
The InChIKey is DEMUPPZSCKIBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4.2CH4/c1-3-6-12-10-14-8-5-9-15-11-13-7-4-2;;/h3-11H2,1-2H3;2*1H4.
What are the key properties of 1,3-bis(propoxymethoxy)propane;methane?
1,3-bis(propoxymethoxy)propane;methane has a molecular weight of 252.39 g/mol, XLogP of 3.45, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(propoxymethoxy)propane;methane is sourced from PubChem (CID 164971527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).