1,2,4-trimethyl-5-propylcyclohexane

C12H24 — CID 20777497

IUPAC1,2,4-trimethyl-5-propylcyclohexane
SMILESCCCC1CC(C)C(C)CC1C
InChIInChI=1S/C12H24/c1-5-6-12-8-10(3)9(2)7-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyGVYILLFCZBBLHQ-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About 1,2,4-trimethyl-5-propylcyclohexane

1,2,4-trimethyl-5-propylcyclohexane (PubChem CID 20777497) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,2,4-trimethyl-5-propylcyclohexane.

Molecular Properties

Compound Name1,2,4-trimethyl-5-propylcyclohexane
PubChem CID20777497
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,2,4-trimethyl-5-propylcyclohexane
SMILESCCCC1CC(C)C(C)CC1C
InChIInChI=1S/C12H24/c1-5-6-12-8-10(3)9(2)7-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyGVYILLFCZBBLHQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,2,4-trimethyl-5-propylcyclohexane
CID 156835083
ethane;1-methyl-2-propylcyclopropane
CID 144710386
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1,5-dimethyl-2-(3-methylbut-3-enyl)-4-propylcyclohexane
CID 123584713
2-methyl-4-propylcyclobutan-1-ol
CID 91553284
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574
ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-5-propylcyclohexane?
The IUPAC name of 1,2,4-trimethyl-5-propylcyclohexane (CID 20777497) is 1,2,4-trimethyl-5-propylcyclohexane.
What is the SMILES notation for 1,2,4-trimethyl-5-propylcyclohexane?
The canonical SMILES for 1,2,4-trimethyl-5-propylcyclohexane is CCCC1CC(C)C(C)CC1C.
What is the InChIKey of 1,2,4-trimethyl-5-propylcyclohexane?
The InChIKey is GVYILLFCZBBLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-6-12-8-10(3)9(2)7-11(12)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,2,4-trimethyl-5-propylcyclohexane?
1,2,4-trimethyl-5-propylcyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-5-propylcyclohexane is sourced from PubChem (CID 20777497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).