1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol

C14H30O6 — CID 18409939

IUPAC1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol
SMILESCOCCCOC(C)(COC)OCC(C)OCC(C)O
InChIInChI=1S/C14H30O6/c1-12(15)9-18-13(2)10-20-14(3,11-17-5)19-8-6-7-16-4/h12-13,15H,6-11H2,1-5H3
InChIKeyXIXIVXXORPXPAU-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.20
Rot. Bonds13

About 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol

1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol (PubChem CID 18409939) has the molecular formula C14H30O6 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol
PubChem CID18409939
Molecular FormulaC14H30O6
Molecular Weight294.39 g/mol
Exact Mass294.20
IUPAC Name1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol
SMILESCOCCCOC(C)(COC)OCC(C)OCC(C)O
InChIInChI=1S/C14H30O6/c1-12(15)9-18-13(2)10-20-14(3,11-17-5)19-8-6-7-16-4/h12-13,15H,6-11H2,1-5H3
InChIKeyXIXIVXXORPXPAU-UHFFFAOYSA-N
XLogP1.20
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol (CID 18409939) is 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol is COCCCOC(C)(COC)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol?
The InChIKey is XIXIVXXORPXPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O6/c1-12(15)9-18-13(2)10-20-14(3,11-17-5)19-8-6-7-16-4/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol?
1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 1.20, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-methoxy-2-(3-methoxypropoxy)propan-2-yl]oxypropan-2-yloxy]propan-2-ol is sourced from PubChem (CID 18409939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).