4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene

C30H50O6 — CID 23572291

IUPAC4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene
SMILESC=C=CC(COCCC)COCC(COCC(C=C=C)COCCC)OCC(C=C=C)COCCC
InChIInChI=1S/C30H50O6/c1-7-13-27(19-31-16-10-4)22-34-25-30(36-24-29(15-9-3)21-33-18-12-6)26-35-23-28(14-8-2)20-32-17-11-5/h13-15,27-30H,1-3,10-12,16-26H2,4-6H3
InChIKeyJJLHCNCNADWZSI-UHFFFAOYSA-N
MW506.72 g/mol
LogP5.56
Rot. Bonds26

About 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene

4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene (PubChem CID 23572291) has the molecular formula C30H50O6 and a molecular weight of 506.72 g/mol. Its IUPAC name is 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene.

Molecular Properties

Compound Name4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene
PubChem CID23572291
Molecular FormulaC30H50O6
Molecular Weight506.72 g/mol
Exact Mass506.36
IUPAC Name4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene
SMILESC=C=CC(COCCC)COCC(COCC(C=C=C)COCCC)OCC(C=C=C)COCCC
InChIInChI=1S/C30H50O6/c1-7-13-27(19-31-16-10-4)22-34-25-30(36-24-29(15-9-3)21-33-18-12-6)26-35-23-28(14-8-2)20-32-17-11-5/h13-15,27-30H,1-3,10-12,16-26H2,4-6H3
InChIKeyJJLHCNCNADWZSI-UHFFFAOYSA-N
XLogP5.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.72
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 23572290
CID 23572290
CID 23572293
CID 23572293
CID 57180275
CID 57180275
CID 141458434
CID 141458434
CID 141458436
CID 141458436
CID 155007185
CID 155007185
CID 175001300
CID 175001300

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene?
The IUPAC name of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene (CID 23572291) is 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene.
What is the SMILES notation for 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene?
The canonical SMILES for 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene is C=C=CC(COCCC)COCC(COCC(C=C=C)COCCC)OCC(C=C=C)COCCC.
What is the InChIKey of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene?
The InChIKey is JJLHCNCNADWZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O6/c1-7-13-27(19-31-16-10-4)22-34-25-30(36-24-29(15-9-3)21-33-18-12-6)26-35-23-28(14-8-2)20-32-17-11-5/h13-15,27-30H,1-3,10-12,16-26H2,4-6H3.
What are the key properties of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene?
4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene has a molecular weight of 506.72 g/mol, XLogP of 5.56, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene is sourced from PubChem (CID 23572291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).