1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

C16H34O4 — CID 90302179

IUPAC1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCCCCCCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C16H34O4/c1-5-6-7-8-9-10-18-12-15(3)20-13-16(4)19-11-14(2)17/h14-17H,5-13H2,1-4H3
InChIKeyKWUSGDHIBJYPGT-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.16
Rot. Bonds14

About 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 90302179) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID90302179
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCCCCCCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C16H34O4/c1-5-6-7-8-9-10-18-12-15(3)20-13-16(4)19-11-14(2)17/h14-17H,5-13H2,1-4H3
InChIKeyKWUSGDHIBJYPGT-UHFFFAOYSA-N
XLogP3.16
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hexoxypropan-2-yloxy)propan-2-ol
CID 22182175
1-[1-[1-[1-(1-hexoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]decane
CID 150016958
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399
1-(1-butoxypropan-2-yloxy)propan-2-ol;1-(1-methoxypropan-2-yloxy)propan-2-ol
CID 88546913
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
1-(2-hexoxypropoxy)hexane
CID 71353992
1-[1-(1-propoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 57074955
2-[2-[2-[2-[2-[1-[1-[1-(1-dodecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595319
2-[2-[1-[1-(1-pentadecoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]ethoxy]ethanol
CID 139596177

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 90302179) is 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is CCCCCCCOCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is KWUSGDHIBJYPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-5-6-7-8-9-10-18-12-15(3)20-13-16(4)19-11-14(2)17/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 290.44 g/mol, XLogP of 3.16, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-heptoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 90302179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).