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

C26H48O4 — CID 160526423

IUPAC4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESCC(C)CC(C)(O)C#CC(C)(O)CC(C)C.CCCC(C)(O)C#CC(C)(O)CCC
InChIInChI=1S/C14H26O2.C12H22O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-5-7-11(3,13)9-10-12(4,14)8-6-2/h11-12,15-16H,9-10H2,1-6H3;13-14H,5-8H2,1-4H3
InChIKeyQUYMBZUAFVXGFK-UHFFFAOYSA-N
MW424.67 g/mol
LogP4.68
Rot. Bonds8

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

4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol (PubChem CID 160526423) has the molecular formula C26H48O4 and a molecular weight of 424.67 g/mol. Its IUPAC name is 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol.

Molecular Properties

Compound Name4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
PubChem CID160526423
Molecular FormulaC26H48O4
Molecular Weight424.67 g/mol
Exact Mass424.36
IUPAC Name4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
SMILESCC(C)CC(C)(O)C#CC(C)(O)CC(C)C.CCCC(C)(O)C#CC(C)(O)CCC
InChIInChI=1S/C14H26O2.C12H22O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-5-7-11(3,13)9-10-12(4,14)8-6-2/h11-12,15-16H,9-10H2,1-6H3;13-14H,5-8H2,1-4H3
InChIKeyQUYMBZUAFVXGFK-UHFFFAOYSA-N
XLogP4.68
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 54.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The IUPAC name of 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol (CID 160526423) is 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol.
What is the SMILES notation for 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The canonical SMILES for 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol is CC(C)CC(C)(O)C#CC(C)(O)CC(C)C.CCCC(C)(O)C#CC(C)(O)CCC.
What is the InChIKey of 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
The InChIKey is QUYMBZUAFVXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.C12H22O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4;1-5-7-11(3,13)9-10-12(4,14)8-6-2/h11-12,15-16H,9-10H2,1-6H3;13-14H,5-8H2,1-4H3.
What are the key properties of 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol?
4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol has a molecular weight of 424.67 g/mol, XLogP of 4.68, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol is sourced from PubChem (CID 160526423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).