4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene

C52H92O10 — CID 91512579

IUPAC4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
SMILESC=C=CC(COCCC)COCC(COCC(C=C=C)COCCC)OCC(C=C=C)COCCC.C=CCCC(COCCC)COCCOCC(CCC=C)COCCC
InChIInChI=1S/C30H50O6.C22H42O4/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;1-5-9-11-21(17-23-13-7-3)19-25-15-16-26-20-22(12-10-6-2)18-24-14-8-4/h13-15,27-30H,1-3,10-12,16-26H2,4-6H3;5-6,21-22H,1-2,7-20H2,3-4H3
InChIKeyMQDAOMFRBCXWDC-UHFFFAOYSA-N
MW877.30 g/mol
LogP10.59
Rot. Bonds47

About 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene

4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene (PubChem CID 91512579) has the molecular formula C52H92O10 and a molecular weight of 877.30 g/mol. Its IUPAC name is 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene.

Molecular Properties

Compound Name4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
PubChem CID91512579
Molecular FormulaC52H92O10
Molecular Weight877.30 g/mol
Exact Mass876.67
IUPAC Name4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene
SMILESC=C=CC(COCCC)COCC(COCC(C=C=C)COCCC)OCC(C=C=C)COCCC.C=CCCC(COCCC)COCCOCC(CCC=C)COCCC
InChIInChI=1S/C30H50O6.C22H42O4/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;1-5-9-11-21(17-23-13-7-3)19-25-15-16-26-20-22(12-10-6-2)18-24-14-8-4/h13-15,27-30H,1-3,10-12,16-26H2,4-6H3;5-6,21-22H,1-2,7-20H2,3-4H3
InChIKeyMQDAOMFRBCXWDC-UHFFFAOYSA-N
XLogP10.59
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds47
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.30
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
The IUPAC name of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene (CID 91512579) is 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene.
What is the SMILES notation for 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
The canonical SMILES for 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene is C=C=CC(COCCC)COCC(COCC(C=C=C)COCCC)OCC(C=C=C)COCCC.C=CCCC(COCCC)COCCOCC(CCC=C)COCCC.
What is the InChIKey of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
The InChIKey is MQDAOMFRBCXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50O6.C22H42O4/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;1-5-9-11-21(17-23-13-7-3)19-25-15-16-26-20-22(12-10-6-2)18-24-14-8-4/h13-15,27-30H,1-3,10-12,16-26H2,4-6H3;5-6,21-22H,1-2,7-20H2,3-4H3.
What are the key properties of 4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene?
4-[2,3-bis[2-(propoxymethyl)penta-3,4-dienoxy]propoxymethyl]-5-propoxypenta-1,2-diene;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene has a molecular weight of 877.30 g/mol, XLogP of 10.59, 47 rotatable bonds, 0 hydrogen bond donors, and 10 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;5-(propoxymethyl)-6-[2-[2-(propoxymethyl)hex-5-enoxy]ethoxy]hex-1-ene is sourced from PubChem (CID 91512579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).