2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene

C19H34O5 — CID 22421285

IUPAC2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene
SMILESC=CCC(=C)OC(=C)CC=C.CC(O)COC(C)COC(C)CO
InChIInChI=1S/C10H14O.C9H20O4/c1-5-7-9(3)11-10(4)8-6-2;1-7(11)5-12-9(3)6-13-8(2)4-10/h5-6H,1-4,7-8H2;7-11H,4-6H2,1-3H3
InChIKeyHDSTWCYYVUXLFQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.35
Rot. Bonds13

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene (PubChem CID 22421285) has the molecular formula C19H34O5 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene
PubChem CID22421285
Molecular FormulaC19H34O5
Molecular Weight342.48 g/mol
Exact Mass342.24
IUPAC Name2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene
SMILESC=CCC(=C)OC(=C)CC=C.CC(O)COC(C)COC(C)CO
InChIInChI=1S/C10H14O.C9H20O4/c1-5-7-9(3)11-10(4)8-6-2;1-7(11)5-12-9(3)6-13-8(2)4-10/h5-6H,1-4,7-8H2;7-11H,4-6H2,1-3H3
InChIKeyHDSTWCYYVUXLFQ-UHFFFAOYSA-N
XLogP3.35
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene?
The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene (CID 22421285) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene is C=CCC(=C)OC(=C)CC=C.CC(O)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene?
The InChIKey is HDSTWCYYVUXLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C9H20O4/c1-5-7-9(3)11-10(4)8-6-2;1-7(11)5-12-9(3)6-13-8(2)4-10/h5-6H,1-4,7-8H2;7-11H,4-6H2,1-3H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene?
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene has a molecular weight of 342.48 g/mol, XLogP of 3.35, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-penta-1,4-dien-2-yloxypenta-1,4-diene is sourced from PubChem (CID 22421285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).