2,2,4,5,5,6,6,8,9,9-decamethylundecane

C21H44 — CID 144640849

IUPAC2,2,4,5,5,6,6,8,9,9-decamethylundecane
SMILESCCC(C)(C)C(C)CC(C)(C)C(C)(C)C(C)CC(C)(C)C
InChIInChI=1S/C21H44/c1-13-19(7,8)16(2)15-20(9,10)21(11,12)17(3)14-18(4,5)6/h16-17H,13-15H2,1-12H3
InChIKeyQNEDEGOSDVURFS-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.57
Rot. Bonds7

About 2,2,4,5,5,6,6,8,9,9-decamethylundecane

2,2,4,5,5,6,6,8,9,9-decamethylundecane (PubChem CID 144640849) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 2,2,4,5,5,6,6,8,9,9-decamethylundecane.

Molecular Properties

Compound Name2,2,4,5,5,6,6,8,9,9-decamethylundecane
PubChem CID144640849
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name2,2,4,5,5,6,6,8,9,9-decamethylundecane
SMILESCCC(C)(C)C(C)CC(C)(C)C(C)(C)C(C)CC(C)(C)C
InChIInChI=1S/C21H44/c1-13-19(7,8)16(2)15-20(9,10)21(11,12)17(3)14-18(4,5)6/h16-17H,13-15H2,1-12H3
InChIKeyQNEDEGOSDVURFS-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,5,6,6,8,9,9-decamethylundecane?
The IUPAC name of 2,2,4,5,5,6,6,8,9,9-decamethylundecane (CID 144640849) is 2,2,4,5,5,6,6,8,9,9-decamethylundecane.
What is the SMILES notation for 2,2,4,5,5,6,6,8,9,9-decamethylundecane?
The canonical SMILES for 2,2,4,5,5,6,6,8,9,9-decamethylundecane is CCC(C)(C)C(C)CC(C)(C)C(C)(C)C(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,5,5,6,6,8,9,9-decamethylundecane?
The InChIKey is QNEDEGOSDVURFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-13-19(7,8)16(2)15-20(9,10)21(11,12)17(3)14-18(4,5)6/h16-17H,13-15H2,1-12H3.
What are the key properties of 2,2,4,5,5,6,6,8,9,9-decamethylundecane?
2,2,4,5,5,6,6,8,9,9-decamethylundecane has a molecular weight of 296.58 g/mol, XLogP of 7.57, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,5,6,6,8,9,9-decamethylundecane is sourced from PubChem (CID 144640849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).