1-ethyl-1,3,3,5-tetramethylcyclohexane;methane

C15H36 — CID 144643068

IUPAC1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
SMILESC.C.C.CCC1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H24.3CH4/c1-6-12(5)8-10(2)7-11(3,4)9-12;;;/h10H,6-9H2,1-5H3;3*1H4
InChIKeyTVJQPMLRZSJXOR-UHFFFAOYSA-N
MW216.45 g/mol
LogP6.16
Rot. Bonds1

About 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane

1-ethyl-1,3,3,5-tetramethylcyclohexane;methane (PubChem CID 144643068) has the molecular formula C15H36 and a molecular weight of 216.45 g/mol. Its IUPAC name is 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane.

Molecular Properties

Compound Name1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
PubChem CID144643068
Molecular FormulaC15H36
Molecular Weight216.45 g/mol
Exact Mass216.28
IUPAC Name1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
SMILESC.C.C.CCC1(C)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H24.3CH4/c1-6-12(5)8-10(2)7-11(3,4)9-12;;;/h10H,6-9H2,1-5H3;3*1H4
InChIKeyTVJQPMLRZSJXOR-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.45
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Dimethylcyclohexane
CID 11564
Pentylcyclohexane
CID 20284
1,1-Dimethylcyclohexane
CID 11549
Cyclohexane, 1-methyl-3-(1-methylethyl)-
CID 27938
1,1,2-Trimethylcyclohexane
CID 35363
1,3,5-Trimethylcyclohexane
CID 35364
Hexylcyclohexane
CID 20283
Octylcyclohexane
CID 15712
Decylcyclohexane
CID 15713
Heptylcyclohexane
CID 21832
Isobutylcyclohexane
CID 15508
Cyclogeraniolane
CID 18309

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane?
The IUPAC name of 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane (CID 144643068) is 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane.
What is the SMILES notation for 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane?
The canonical SMILES for 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane is C.C.C.CCC1(C)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane?
The InChIKey is TVJQPMLRZSJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.3CH4/c1-6-12(5)8-10(2)7-11(3,4)9-12;;;/h10H,6-9H2,1-5H3;3*1H4.
What are the key properties of 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane?
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane has a molecular weight of 216.45 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,3,5-tetramethylcyclohexane;methane is sourced from PubChem (CID 144643068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).