1-methyl-5-(5-methylundecan-2-yl)cyclododecane

C25H50 — CID 123940441

IUPAC1-methyl-5-(5-methylundecan-2-yl)cyclododecane
SMILESCCCCCCC(C)CCC(C)C1CCCCCCCC(C)CCC1
InChIInChI=1S/C25H50/c1-5-6-7-11-16-23(3)20-21-24(4)25-18-13-10-8-9-12-15-22(2)17-14-19-25/h22-25H,5-21H2,1-4H3
InChIKeyZKGOAQVCOUKEPN-UHFFFAOYSA-N
MW350.68 g/mol
LogP9.18
Rot. Bonds9

About 1-methyl-5-(5-methylundecan-2-yl)cyclododecane

1-methyl-5-(5-methylundecan-2-yl)cyclododecane (PubChem CID 123940441) has the molecular formula C25H50 and a molecular weight of 350.68 g/mol. Its IUPAC name is 1-methyl-5-(5-methylundecan-2-yl)cyclododecane.

Molecular Properties

Compound Name1-methyl-5-(5-methylundecan-2-yl)cyclododecane
PubChem CID123940441
Molecular FormulaC25H50
Molecular Weight350.68 g/mol
Exact Mass350.39
IUPAC Name1-methyl-5-(5-methylundecan-2-yl)cyclododecane
SMILESCCCCCCC(C)CCC(C)C1CCCCCCCC(C)CCC1
InChIInChI=1S/C25H50/c1-5-6-7-11-16-23(3)20-21-24(4)25-18-13-10-8-9-12-15-22(2)17-14-19-25/h22-25H,5-21H2,1-4H3
InChIKeyZKGOAQVCOUKEPN-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butan-2-ylcyclohexane;heptane
CID 143477095
butane;pentan-2-ylcyclohexane
CID 143682251
octan-2-ylcyclopropane
CID 18968125
ethane;pentan-2-ylcyclohexane
CID 143225886
ethane;tris(methylcyclohexane);octane
CID 142912940
1-(5,6-dimethyloctan-2-yl)-6-methylcyclodecane
CID 123406141
1-cyclopentyl-3-(4-heptan-2-ylcyclohexyl)cyclohexane
CID 163605877
11,14-dimethylhexacosane
CID 86148083
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
1-cyclohexylheptylcyclohexane
CID 16404
5,8,18,24-tetramethylhentriacontane
CID 6430103

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5-methylundecan-2-yl)cyclododecane?
The IUPAC name of 1-methyl-5-(5-methylundecan-2-yl)cyclododecane (CID 123940441) is 1-methyl-5-(5-methylundecan-2-yl)cyclododecane.
What is the SMILES notation for 1-methyl-5-(5-methylundecan-2-yl)cyclododecane?
The canonical SMILES for 1-methyl-5-(5-methylundecan-2-yl)cyclododecane is CCCCCCC(C)CCC(C)C1CCCCCCCC(C)CCC1.
What is the InChIKey of 1-methyl-5-(5-methylundecan-2-yl)cyclododecane?
The InChIKey is ZKGOAQVCOUKEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50/c1-5-6-7-11-16-23(3)20-21-24(4)25-18-13-10-8-9-12-15-22(2)17-14-19-25/h22-25H,5-21H2,1-4H3.
What are the key properties of 1-methyl-5-(5-methylundecan-2-yl)cyclododecane?
1-methyl-5-(5-methylundecan-2-yl)cyclododecane has a molecular weight of 350.68 g/mol, XLogP of 9.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5-methylundecan-2-yl)cyclododecane is sourced from PubChem (CID 123940441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).