1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane

C13H32O4 — CID 165051795

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

About 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane

1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane (PubChem CID 165051795) has the molecular formula C13H32O4 and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane.

Molecular Properties

Compound Name1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
PubChem CID165051795
Molecular FormulaC13H32O4
Molecular Weight252.39 g/mol
Exact Mass252.23
IUPAC Name1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane
SMILESC.C.CCOCCCOCOCCCOCC
InChIInChI=1S/C11H24O4.2CH4/c1-3-12-7-5-9-14-11-15-10-6-8-13-4-2;;/h3-11H2,1-2H3;2*1H4
InChIKeyPTVMGJDSDXAPPV-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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

1,3-bis(propoxymethoxy)propane;methane
CID 164971527
3-ethoxypropoxyphosphane
CID 57317096
ethane;1-ethoxybutane
CID 143206406
4-(ethoxymethoxymethoxy)butan-1-ol
CID 57011748
1-(3-ethoxypropoxy)-4-methoxybutane
CID 59660847
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-(3-ethoxypropylperoxy)butane
CID 154387522
2-(ethoxymethoxy)ethanol;methane
CID 161049007
pentakis(3-ethoxypropoxy)-λ5-stibane
CID 139727092
tris(3-ethoxypropyl) phosphite
CID 54497287
1-ethoxypropane;methane
CID 158784820
3-[2-(3-ethoxypropoxy)ethoxy]propan-1-ol
CID 88558917

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane?
The IUPAC name of 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane (CID 165051795) is 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane.
What is the SMILES notation for 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane?
The canonical SMILES for 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane is C.C.CCOCCCOCOCCCOCC.
What is the InChIKey of 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane?
The InChIKey is PTVMGJDSDXAPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4.2CH4/c1-3-12-7-5-9-14-11-15-10-6-8-13-4-2;;/h3-11H2,1-2H3;2*1H4.
What are the key properties of 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane?
1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane has a molecular weight of 252.39 g/mol, XLogP of 3.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(3-ethoxypropoxymethoxy)propane;methane is sourced from PubChem (CID 165051795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).