1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane

C27H54 — CID 123628230

IUPAC1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane
SMILESCCC(CCCCCCC(C)C(C)C)C1CCCCCCCCCCC1C
InChIInChI=1S/C27H54/c1-6-26(21-17-14-13-15-19-24(4)23(2)3)27-22-18-12-10-8-7-9-11-16-20-25(27)5/h23-27H,6-22H2,1-5H3
InChIKeyZWIMKRBZTGQVRH-UHFFFAOYSA-N
MW378.73 g/mol
LogP9.81
Rot. Bonds10

About 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane

1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane (PubChem CID 123628230) has the molecular formula C27H54 and a molecular weight of 378.73 g/mol. Its IUPAC name is 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane.

Molecular Properties

Compound Name1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane
PubChem CID123628230
Molecular FormulaC27H54
Molecular Weight378.73 g/mol
Exact Mass378.42
IUPAC Name1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane
SMILESCCC(CCCCCCC(C)C(C)C)C1CCCCCCCCCCC1C
InChIInChI=1S/C27H54/c1-6-26(21-17-14-13-15-19-24(4)23(2)3)27-22-18-12-10-8-7-9-11-16-20-25(27)5/h23-27H,6-22H2,1-5H3
InChIKeyZWIMKRBZTGQVRH-UHFFFAOYSA-N
XLogP9.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 59.81
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

1-(4-butan-2-ylnonan-2-yl)-2-methylcycloheptane
CID 123447024
1-methyl-2-(4-methylhexan-3-yl)cyclohexane
CID 91437485
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
nonan-3-ylcyclopentane
CID 19893531
trans-(1S,2R)-2-[(3S)-octan-3-yl]cyclopentan-1-ol
CID 101119918
2,3,9-trimethylundecane
CID 57491510
1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
1-(2-methylcyclopentyl)heptan-1-amine
CID 107188178
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434

Frequently Asked Questions

What is the IUPAC name of 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane?
The IUPAC name of 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane (CID 123628230) is 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane.
What is the SMILES notation for 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane?
The canonical SMILES for 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane is CCC(CCCCCCC(C)C(C)C)C1CCCCCCCCCCC1C.
What is the InChIKey of 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane?
The InChIKey is ZWIMKRBZTGQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54/c1-6-26(21-17-14-13-15-19-24(4)23(2)3)27-22-18-12-10-8-7-9-11-16-20-25(27)5/h23-27H,6-22H2,1-5H3.
What are the key properties of 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane?
1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane has a molecular weight of 378.73 g/mol, XLogP of 9.81, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,11-dimethyldodecan-3-yl)-2-methylcyclododecane is sourced from PubChem (CID 123628230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).