4-ethyl-1,7-dimethylcyclododecane

C16H32 — CID 123234850

IUPAC4-ethyl-1,7-dimethylcyclododecane
SMILESCCC1CCC(C)CCCCCC(C)CC1
InChIInChI=1S/C16H32/c1-4-16-12-10-14(2)8-6-5-7-9-15(3)11-13-16/h14-16H,4-13H2,1-3H3
InChIKeyKVAUSCHFSBQCIA-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.81
Rot. Bonds1

About 4-ethyl-1,7-dimethylcyclododecane

4-ethyl-1,7-dimethylcyclododecane (PubChem CID 123234850) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 4-ethyl-1,7-dimethylcyclododecane.

Molecular Properties

Compound Name4-ethyl-1,7-dimethylcyclododecane
PubChem CID123234850
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name4-ethyl-1,7-dimethylcyclododecane
SMILESCCC1CCC(C)CCCCCC(C)CC1
InChIInChI=1S/C16H32/c1-4-16-12-10-14(2)8-6-5-7-9-15(3)11-13-16/h14-16H,4-13H2,1-3H3
InChIKeyKVAUSCHFSBQCIA-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-methylcyclooctane;methane
CID 159989571
carbanide;ethylcyclopentane;methylcyclopentane;ruthenium(2+)
CID 162292868
cyclohexane;cyclopentane;ethylcyclopropane;methanol;2-methylbutane;methylcyclobutane;methylcyclopentane;methylcyclopropane
CID 174801862
1-ethyl-4-methylcyclohexane;pentane
CID 159787850
1-ethyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850420
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
butane;methylcyclopentane
CID 142053859
ethane;ethylcyclopentane;methylcyclohexane;2-methyloxirane
CID 158402026
cyclobutane;ethane;ethylcyclobutane;methane;methylcyclobutane
CID 158476891
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
methane;methylcyclohexane;propane
CID 143031585
1-ethyl-4-methylcyclohexane;2-methylprop-1-ene
CID 154678997

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,7-dimethylcyclododecane?
The IUPAC name of 4-ethyl-1,7-dimethylcyclododecane (CID 123234850) is 4-ethyl-1,7-dimethylcyclododecane.
What is the SMILES notation for 4-ethyl-1,7-dimethylcyclododecane?
The canonical SMILES for 4-ethyl-1,7-dimethylcyclododecane is CCC1CCC(C)CCCCCC(C)CC1.
What is the InChIKey of 4-ethyl-1,7-dimethylcyclododecane?
The InChIKey is KVAUSCHFSBQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-16-12-10-14(2)8-6-5-7-9-15(3)11-13-16/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-ethyl-1,7-dimethylcyclododecane?
4-ethyl-1,7-dimethylcyclododecane has a molecular weight of 224.43 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,7-dimethylcyclododecane is sourced from PubChem (CID 123234850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).