ethane;1,2,4-trimethyl-5-propylcyclohexane

C14H30 — CID 156835083

IUPACethane;1,2,4-trimethyl-5-propylcyclohexane
SMILESCC.CCCC1CC(C)C(C)CC1C
InChIInChI=1S/C12H24.C2H6/c1-5-6-12-8-10(3)9(2)7-11(12)4;1-2/h9-12H,5-8H2,1-4H3;1-2H3
InChIKeyDTMSRWJPULGXBQ-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.13
Rot. Bonds2

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

ethane;1,2,4-trimethyl-5-propylcyclohexane (PubChem CID 156835083) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is ethane;1,2,4-trimethyl-5-propylcyclohexane.

Molecular Properties

Compound Nameethane;1,2,4-trimethyl-5-propylcyclohexane
PubChem CID156835083
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Nameethane;1,2,4-trimethyl-5-propylcyclohexane
SMILESCC.CCCC1CC(C)C(C)CC1C
InChIInChI=1S/C12H24.C2H6/c1-5-6-12-8-10(3)9(2)7-11(12)4;1-2/h9-12H,5-8H2,1-4H3;1-2H3
InChIKeyDTMSRWJPULGXBQ-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trimethyl-5-propylcyclohexane
CID 20777497
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
acetylene;1-methyl-2-propylcyclopropane;propane
CID 173373842
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195
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
ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276
2,6-dimethyl-4-propylbicyclo[3.1.0]hexane
CID 123147574

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,4-trimethyl-5-propylcyclohexane?
The IUPAC name of ethane;1,2,4-trimethyl-5-propylcyclohexane (CID 156835083) is ethane;1,2,4-trimethyl-5-propylcyclohexane.
What is the SMILES notation for ethane;1,2,4-trimethyl-5-propylcyclohexane?
The canonical SMILES for ethane;1,2,4-trimethyl-5-propylcyclohexane is CC.CCCC1CC(C)C(C)CC1C.
What is the InChIKey of ethane;1,2,4-trimethyl-5-propylcyclohexane?
The InChIKey is DTMSRWJPULGXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C2H6/c1-5-6-12-8-10(3)9(2)7-11(12)4;1-2/h9-12H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;1,2,4-trimethyl-5-propylcyclohexane?
ethane;1,2,4-trimethyl-5-propylcyclohexane has a molecular weight of 198.39 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,4-trimethyl-5-propylcyclohexane is sourced from PubChem (CID 156835083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).