5,8-dibutyl-5,8-diethyldodecane

C24H50 — CID 140960006

IUPAC5,8-dibutyl-5,8-diethyldodecane
SMILESCCCCC(CC)(CCCC)CCC(CC)(CCCC)CCCC
InChIInChI=1S/C24H50/c1-7-13-17-23(11-5,18-14-8-2)21-22-24(12-6,19-15-9-3)20-16-10-4/h7-22H2,1-6H3
InChIKeyKOXVHOWIDOLUSF-UHFFFAOYSA-N
MW338.66 g/mol
LogP9.32
Rot. Bonds17

About 5,8-dibutyl-5,8-diethyldodecane

5,8-dibutyl-5,8-diethyldodecane (PubChem CID 140960006) has the molecular formula C24H50 and a molecular weight of 338.66 g/mol. Its IUPAC name is 5,8-dibutyl-5,8-diethyldodecane.

Molecular Properties

Compound Name5,8-dibutyl-5,8-diethyldodecane
PubChem CID140960006
Molecular FormulaC24H50
Molecular Weight338.66 g/mol
Exact Mass338.39
IUPAC Name5,8-dibutyl-5,8-diethyldodecane
SMILESCCCCC(CC)(CCCC)CCC(CC)(CCCC)CCCC
InChIInChI=1S/C24H50/c1-7-13-17-23(11-5,18-14-8-2)21-22-24(12-6,19-15-9-3)20-16-10-4/h7-22H2,1-6H3
InChIKeyKOXVHOWIDOLUSF-UHFFFAOYSA-N
XLogP9.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.66
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibutyl-5,8-diethyldodecane?
The IUPAC name of 5,8-dibutyl-5,8-diethyldodecane (CID 140960006) is 5,8-dibutyl-5,8-diethyldodecane.
What is the SMILES notation for 5,8-dibutyl-5,8-diethyldodecane?
The canonical SMILES for 5,8-dibutyl-5,8-diethyldodecane is CCCCC(CC)(CCCC)CCC(CC)(CCCC)CCCC.
What is the InChIKey of 5,8-dibutyl-5,8-diethyldodecane?
The InChIKey is KOXVHOWIDOLUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50/c1-7-13-17-23(11-5,18-14-8-2)21-22-24(12-6,19-15-9-3)20-16-10-4/h7-22H2,1-6H3.
What are the key properties of 5,8-dibutyl-5,8-diethyldodecane?
5,8-dibutyl-5,8-diethyldodecane has a molecular weight of 338.66 g/mol, XLogP of 9.32, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibutyl-5,8-diethyldodecane is sourced from PubChem (CID 140960006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).