1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol

C13H20O5 — CID 54034089

IUPAC1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol
SMILESC=C=COCCCOCOCC(O)COC=C=C
InChIInChI=1S/C13H20O5/c1-3-6-15-8-5-9-17-12-18-11-13(14)10-16-7-4-2/h6-7,13-14H,1-2,5,8-12H2
InChIKeyLHRLLZMCRQQIJM-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.36
Rot. Bonds12

About 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol

1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol (PubChem CID 54034089) has the molecular formula C13H20O5 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol.

Molecular Properties

Compound Name1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol
PubChem CID54034089
Molecular FormulaC13H20O5
Molecular Weight256.30 g/mol
Exact Mass256.13
IUPAC Name1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol
SMILESC=C=COCCCOCOCC(O)COC=C=C
InChIInChI=1S/C13H20O5/c1-3-6-15-8-5-9-17-12-18-11-13(14)10-16-7-4-2/h6-7,13-14H,1-2,5,8-12H2
InChIKeyLHRLLZMCRQQIJM-UHFFFAOYSA-N
XLogP1.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol?
The IUPAC name of 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol (CID 54034089) is 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol.
What is the SMILES notation for 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol?
The canonical SMILES for 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol is C=C=COCCCOCOCC(O)COC=C=C.
What is the InChIKey of 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol?
The InChIKey is LHRLLZMCRQQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5/c1-3-6-15-8-5-9-17-12-18-11-13(14)10-16-7-4-2/h6-7,13-14H,1-2,5,8-12H2.
What are the key properties of 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol?
1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol has a molecular weight of 256.30 g/mol, XLogP of 1.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propa-1,2-dienoxy-3-(3-propa-1,2-dienoxypropoxymethoxy)propan-2-ol is sourced from PubChem (CID 54034089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).