1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane

C21H42 — CID 123406141

IUPAC1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
SMILESCCC(C)C(C)CCC(C)C1CCCCC(C)CCCC1
InChIInChI=1S/C21H42/c1-6-18(3)19(4)15-16-20(5)21-13-9-7-11-17(2)12-8-10-14-21/h17-21H,6-16H2,1-5H3
InChIKeyCPADUMPRAGOELB-UHFFFAOYSA-N
MW294.57 g/mol
LogP7.47
Rot. Bonds6

About 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane

1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane (PubChem CID 123406141) has the molecular formula C21H42 and a molecular weight of 294.57 g/mol. Its IUPAC name is 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane.

Molecular Properties

Compound Name1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
PubChem CID123406141
Molecular FormulaC21H42
Molecular Weight294.57 g/mol
Exact Mass294.33
IUPAC Name1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
SMILESCCC(C)C(C)CCC(C)C1CCCCC(C)CCCC1
InChIInChI=1S/C21H42/c1-6-18(3)19(4)15-16-20(5)21-13-9-7-11-17(2)12-8-10-14-21/h17-21H,6-16H2,1-5H3
InChIKeyCPADUMPRAGOELB-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.57
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane?
The IUPAC name of 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane (CID 123406141) is 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane.
What is the SMILES notation for 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane?
The canonical SMILES for 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane is CCC(C)C(C)CCC(C)C1CCCCC(C)CCCC1.
What is the InChIKey of 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane?
The InChIKey is CPADUMPRAGOELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42/c1-6-18(3)19(4)15-16-20(5)21-13-9-7-11-17(2)12-8-10-14-21/h17-21H,6-16H2,1-5H3.
What are the key properties of 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane?
1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane has a molecular weight of 294.57 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane is sourced from PubChem (CID 123406141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).