benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane

C22H42 — CID 158757450

IUPACbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
SMILESCC.CC.CCC1(C)CC(C)CC(C)(C)C1.c1ccccc1
InChIInChI=1S/C12H24.C6H6.2C2H6/c1-6-12(5)8-10(2)7-11(3,4)9-12;1-2-4-6-5-3-1;2*1-2/h10H,6-9H2,1-5H3;1-6H;2*1-2H3
InChIKeyIOGBDZKBFGWSGE-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.99
Rot. Bonds1

About benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane

benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane (PubChem CID 158757450) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane.

Molecular Properties

Compound Namebenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
PubChem CID158757450
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Namebenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
SMILESCC.CC.CCC1(C)CC(C)CC(C)(C)C1.c1ccccc1
InChIInChI=1S/C12H24.C6H6.2C2H6/c1-6-12(5)8-10(2)7-11(3,4)9-12;1-2-4-6-5-3-1;2*1-2/h10H,6-9H2,1-5H3;1-6H;2*1-2H3
InChIKeyIOGBDZKBFGWSGE-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pentadecylbenzene
CID 16476
Dodecylbenzene
CID 31237
Cyclohexylbenzene
CID 13229
tert-Amylbenzene
CID 16295
Undecylbenzene
CID 23194
Tridecylbenzene
CID 31238
Dimethyldiphenylmethane
CID 13065
Decylbenzene
CID 7716
Tetradecylbenzene
CID 15086
1,3-Di-tert-butylbenzene
CID 136810
alpha-Methylstyrene dimer
CID 22521
1,4-Diphenylbutane
CID 66182

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane?
The IUPAC name of benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane (CID 158757450) is benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane.
What is the SMILES notation for benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane?
The canonical SMILES for benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane is CC.CC.CCC1(C)CC(C)CC(C)(C)C1.c1ccccc1.
What is the InChIKey of benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane?
The InChIKey is IOGBDZKBFGWSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C6H6.2C2H6/c1-6-12(5)8-10(2)7-11(3,4)9-12;1-2-4-6-5-3-1;2*1-2/h10H,6-9H2,1-5H3;1-6H;2*1-2H3.
What are the key properties of benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane?
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane has a molecular weight of 306.58 g/mol, XLogP of 7.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane is sourced from PubChem (CID 158757450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).