2-decan-4-yl-1,4-dimethylcyclohexane

C18H36 — CID 123729165

IUPAC2-decan-4-yl-1,4-dimethylcyclohexane
SMILESCCCCCCC(CCC)C1CC(C)CCC1C
InChIInChI=1S/C18H36/c1-5-7-8-9-11-17(10-6-2)18-14-15(3)12-13-16(18)4/h15-18H,5-14H2,1-4H3
InChIKeyMRQFNTKELCWASY-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.45
Rot. Bonds8

About 2-decan-4-yl-1,4-dimethylcyclohexane

2-decan-4-yl-1,4-dimethylcyclohexane (PubChem CID 123729165) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2-decan-4-yl-1,4-dimethylcyclohexane.

Molecular Properties

Compound Name2-decan-4-yl-1,4-dimethylcyclohexane
PubChem CID123729165
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2-decan-4-yl-1,4-dimethylcyclohexane
SMILESCCCCCCC(CCC)C1CC(C)CCC1C
InChIInChI=1S/C18H36/c1-5-7-8-9-11-17(10-6-2)18-14-15(3)12-13-16(18)4/h15-18H,5-14H2,1-4H3
InChIKeyMRQFNTKELCWASY-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.45
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

(1S,2R,4S)-2-henicosan-11-yl-1,4-dimethylcyclohexane
CID 98523786
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
CID 134492565
N,3-dimethyl-4-(2-methylcyclobutyl)nonan-3-amine
CID 139564563
2-decan-4-yl-3-methyloxirane
CID 88790238
(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
CID 170266119
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
1-(5-methyl-2-propan-2-ylcyclohexyl)pentadecyl hypochlorite
CID 70457165
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
1-(2-methylcyclopropyl)-N-propylundecan-1-amine
CID 65419339

Frequently Asked Questions

What is the IUPAC name of 2-decan-4-yl-1,4-dimethylcyclohexane?
The IUPAC name of 2-decan-4-yl-1,4-dimethylcyclohexane (CID 123729165) is 2-decan-4-yl-1,4-dimethylcyclohexane.
What is the SMILES notation for 2-decan-4-yl-1,4-dimethylcyclohexane?
The canonical SMILES for 2-decan-4-yl-1,4-dimethylcyclohexane is CCCCCCC(CCC)C1CC(C)CCC1C.
What is the InChIKey of 2-decan-4-yl-1,4-dimethylcyclohexane?
The InChIKey is MRQFNTKELCWASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-5-7-8-9-11-17(10-6-2)18-14-15(3)12-13-16(18)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-decan-4-yl-1,4-dimethylcyclohexane?
2-decan-4-yl-1,4-dimethylcyclohexane has a molecular weight of 252.49 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decan-4-yl-1,4-dimethylcyclohexane is sourced from PubChem (CID 123729165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).