1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol

C24H46O6 — CID 23382846

IUPAC1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)OCCOCC(C)O)OCCOCC(C)O
InChIInChI=1S/C24H46O6/c1-19(2)15-23(7,29-13-11-27-17-21(5)25)9-10-24(8,16-20(3)4)30-14-12-28-18-22(6)26/h19-22,25-26H,11-18H2,1-8H3
InChIKeyNQHSRAUDWLKNFJ-UHFFFAOYSA-N
MW430.63 g/mol
LogP3.43
Rot. Bonds16

About 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol

1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol (PubChem CID 23382846) has the molecular formula C24H46O6 and a molecular weight of 430.63 g/mol. Its IUPAC name is 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol
PubChem CID23382846
Molecular FormulaC24H46O6
Molecular Weight430.63 g/mol
Exact Mass430.33
IUPAC Name1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol
SMILESCC(C)CC(C)(C#CC(C)(CC(C)C)OCCOCC(C)O)OCCOCC(C)O
InChIInChI=1S/C24H46O6/c1-19(2)15-23(7,29-13-11-27-17-21(5)25)9-10-24(8,16-20(3)4)30-14-12-28-18-22(6)26/h19-22,25-26H,11-18H2,1-8H3
InChIKeyNQHSRAUDWLKNFJ-UHFFFAOYSA-N
XLogP3.43
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol 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 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol?
The IUPAC name of 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol (CID 23382846) is 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol?
The canonical SMILES for 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol is CC(C)CC(C)(C#CC(C)(CC(C)C)OCCOCC(C)O)OCCOCC(C)O.
What is the InChIKey of 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol?
The InChIKey is NQHSRAUDWLKNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O6/c1-19(2)15-23(7,29-13-11-27-17-21(5)25)9-10-24(8,16-20(3)4)30-14-12-28-18-22(6)26/h19-22,25-26H,11-18H2,1-8H3.
What are the key properties of 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol?
1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol has a molecular weight of 430.63 g/mol, XLogP of 3.43, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-[2-(2-hydroxypropoxy)ethoxy]-2,4,7,9-tetramethyldec-5-yn-4-yl]oxyethoxy]propan-2-ol is sourced from PubChem (CID 23382846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).