8,10-diethyl-2,4,5,5,6-pentamethyldodecane

C21H44 — CID 91300352

IUPAC8,10-diethyl-2,4,5,5,6-pentamethyldodecane
SMILESCCC(CC)CC(CC)CC(C)C(C)(C)C(C)CC(C)C
InChIInChI=1S/C21H44/c1-10-19(11-2)15-20(12-3)14-18(7)21(8,9)17(6)13-16(4)5/h16-20H,10-15H2,1-9H3
InChIKeyJSZAZSOZQKQQCZ-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.57
Rot. Bonds11

About 8,10-diethyl-2,4,5,5,6-pentamethyldodecane

8,10-diethyl-2,4,5,5,6-pentamethyldodecane (PubChem CID 91300352) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 8,10-diethyl-2,4,5,5,6-pentamethyldodecane.

Molecular Properties

Compound Name8,10-diethyl-2,4,5,5,6-pentamethyldodecane
PubChem CID91300352
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name8,10-diethyl-2,4,5,5,6-pentamethyldodecane
SMILESCCC(CC)CC(CC)CC(C)C(C)(C)C(C)CC(C)C
InChIInChI=1S/C21H44/c1-10-19(11-2)15-20(12-3)14-18(7)21(8,9)17(6)13-16(4)5/h16-20H,10-15H2,1-9H3
InChIKeyJSZAZSOZQKQQCZ-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
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 8,10-diethyl-2,4,5,5,6-pentamethyldodecane?
The IUPAC name of 8,10-diethyl-2,4,5,5,6-pentamethyldodecane (CID 91300352) is 8,10-diethyl-2,4,5,5,6-pentamethyldodecane.
What is the SMILES notation for 8,10-diethyl-2,4,5,5,6-pentamethyldodecane?
The canonical SMILES for 8,10-diethyl-2,4,5,5,6-pentamethyldodecane is CCC(CC)CC(CC)CC(C)C(C)(C)C(C)CC(C)C.
What is the InChIKey of 8,10-diethyl-2,4,5,5,6-pentamethyldodecane?
The InChIKey is JSZAZSOZQKQQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-10-19(11-2)15-20(12-3)14-18(7)21(8,9)17(6)13-16(4)5/h16-20H,10-15H2,1-9H3.
What are the key properties of 8,10-diethyl-2,4,5,5,6-pentamethyldodecane?
8,10-diethyl-2,4,5,5,6-pentamethyldodecane has a molecular weight of 296.58 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethyl-2,4,5,5,6-pentamethyldodecane is sourced from PubChem (CID 91300352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).