1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol

C18H36O6 — CID 10970113

IUPAC1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESC=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C18H36O6/c1-7-8-20-10-15(3)22-12-17(5)24-13-18(6)23-11-16(4)21-9-14(2)19/h7,14-19H,1,8-13H2,2-6H3
InChIKeyPZKQMWVNPLKVOH-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.19
Rot. Bonds16

About 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol

1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol (PubChem CID 10970113) has the molecular formula C18H36O6 and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
PubChem CID10970113
Molecular FormulaC18H36O6
Molecular Weight348.48 g/mol
Exact Mass348.25
IUPAC Name1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol
SMILESC=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C18H36O6/c1-7-8-20-10-15(3)22-12-17(5)24-13-18(6)23-11-16(4)21-9-14(2)19/h7,14-19H,1,8-13H2,2-6H3
InChIKeyPZKQMWVNPLKVOH-UHFFFAOYSA-N
XLogP2.19
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol (CID 10970113) is 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol is C=CCOCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
The InChIKey is PZKQMWVNPLKVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6/c1-7-8-20-10-15(3)22-12-17(5)24-13-18(6)23-11-16(4)21-9-14(2)19/h7,14-19H,1,8-13H2,2-6H3.
What are the key properties of 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol?
1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol has a molecular weight of 348.48 g/mol, XLogP of 2.19, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 10970113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).