dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol

C24H44O2 — CID 87658423

IUPACdec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESCC(C)CC(C)(O)C#CC(C)(O)CC(C)C.CCCCC#CCCCC
InChIInChI=1S/C14H26O2.C10H18/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-3-5-7-9-10-8-6-4-2/h11-12,15-16H,9-10H2,1-6H3;3-8H2,1-2H3
InChIKeyPAAWOICCDZHOCO-UHFFFAOYSA-N
MW364.61 g/mol
LogP5.95
Rot. Bonds8

About dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol

dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol (PubChem CID 87658423) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol.

Molecular Properties

Compound Namedec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol
PubChem CID87658423
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Namedec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESCC(C)CC(C)(O)C#CC(C)(O)CC(C)C.CCCCC#CCCCC
InChIInChI=1S/C14H26O2.C10H18/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-3-5-7-9-10-8-6-4-2/h11-12,15-16H,9-10H2,1-6H3;3-8H2,1-2H3
InChIKeyPAAWOICCDZHOCO-UHFFFAOYSA-N
XLogP5.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol 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 dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The IUPAC name of dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol (CID 87658423) is dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol.
What is the SMILES notation for dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The canonical SMILES for dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol is CC(C)CC(C)(O)C#CC(C)(O)CC(C)C.CCCCC#CCCCC.
What is the InChIKey of dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The InChIKey is PAAWOICCDZHOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.C10H18/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-3-5-7-9-10-8-6-4-2/h11-12,15-16H,9-10H2,1-6H3;3-8H2,1-2H3.
What are the key properties of dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol has a molecular weight of 364.61 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-5-yne;2,4,7,9-tetramethyldec-5-yne-4,7-diol is sourced from PubChem (CID 87658423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).