5,6-dibutoxy-5,6-dimethyldecane

C20H42O2 — CID 152500539

IUPAC5,6-dibutoxy-5,6-dimethyldecane
SMILESCCCCOC(C)(CCCC)C(C)(CCCC)OCCCC
InChIInChI=1S/C20H42O2/c1-7-11-15-19(5,21-17-13-9-3)20(6,16-12-8-2)22-18-14-10-4/h7-18H2,1-6H3
InChIKeyYDJGASAQXBTHGC-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.52
Rot. Bonds15

About 5,6-dibutoxy-5,6-dimethyldecane

5,6-dibutoxy-5,6-dimethyldecane (PubChem CID 152500539) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is 5,6-dibutoxy-5,6-dimethyldecane.

Molecular Properties

Compound Name5,6-dibutoxy-5,6-dimethyldecane
PubChem CID152500539
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Name5,6-dibutoxy-5,6-dimethyldecane
SMILESCCCCOC(C)(CCCC)C(C)(CCCC)OCCCC
InChIInChI=1S/C20H42O2/c1-7-11-15-19(5,21-17-13-9-3)20(6,16-12-8-2)22-18-14-10-4/h7-18H2,1-6H3
InChIKeyYDJGASAQXBTHGC-UHFFFAOYSA-N
XLogP6.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibutoxy-5,6-dimethyldecane?
The IUPAC name of 5,6-dibutoxy-5,6-dimethyldecane (CID 152500539) is 5,6-dibutoxy-5,6-dimethyldecane.
What is the SMILES notation for 5,6-dibutoxy-5,6-dimethyldecane?
The canonical SMILES for 5,6-dibutoxy-5,6-dimethyldecane is CCCCOC(C)(CCCC)C(C)(CCCC)OCCCC.
What is the InChIKey of 5,6-dibutoxy-5,6-dimethyldecane?
The InChIKey is YDJGASAQXBTHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2/c1-7-11-15-19(5,21-17-13-9-3)20(6,16-12-8-2)22-18-14-10-4/h7-18H2,1-6H3.
What are the key properties of 5,6-dibutoxy-5,6-dimethyldecane?
5,6-dibutoxy-5,6-dimethyldecane has a molecular weight of 314.55 g/mol, XLogP of 6.52, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutoxy-5,6-dimethyldecane is sourced from PubChem (CID 152500539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).