1-butyl-2,3,4,5-tetramethylcyclohexane

C14H28 — CID 167492243

IUPAC1-butyl-2,3,4,5-tetramethylcyclohexane
SMILESCCCCC1CC(C)C(C)C(C)C1C
InChIInChI=1S/C14H28/c1-6-7-8-14-9-10(2)11(3)12(4)13(14)5/h10-14H,6-9H2,1-5H3
InChIKeyHCRINLRGJKKSLV-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.74
Rot. Bonds3

About 1-butyl-2,3,4,5-tetramethylcyclohexane

1-butyl-2,3,4,5-tetramethylcyclohexane (PubChem CID 167492243) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-butyl-2,3,4,5-tetramethylcyclohexane.

Molecular Properties

Compound Name1-butyl-2,3,4,5-tetramethylcyclohexane
PubChem CID167492243
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-butyl-2,3,4,5-tetramethylcyclohexane
SMILESCCCCC1CC(C)C(C)C(C)C1C
InChIInChI=1S/C14H28/c1-6-7-8-14-9-10(2)11(3)12(4)13(14)5/h10-14H,6-9H2,1-5H3
InChIKeyHCRINLRGJKKSLV-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethene;1,2,3-trimethyl-4-propylcyclopentane
CID 162276276
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
1-butyl-2-(2-methylcyclopropyl)cyclopropane
CID 123941425
1-methyl-2-pentadecylcyclopropane
CID 54385825
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
2-methyl-4-pentylcyclobutan-1-amine
CID 138495120
1-butyl-2,3-dimethylcycloheptane
CID 123688488

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3,4,5-tetramethylcyclohexane?
The IUPAC name of 1-butyl-2,3,4,5-tetramethylcyclohexane (CID 167492243) is 1-butyl-2,3,4,5-tetramethylcyclohexane.
What is the SMILES notation for 1-butyl-2,3,4,5-tetramethylcyclohexane?
The canonical SMILES for 1-butyl-2,3,4,5-tetramethylcyclohexane is CCCCC1CC(C)C(C)C(C)C1C.
What is the InChIKey of 1-butyl-2,3,4,5-tetramethylcyclohexane?
The InChIKey is HCRINLRGJKKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-7-8-14-9-10(2)11(3)12(4)13(14)5/h10-14H,6-9H2,1-5H3.
What are the key properties of 1-butyl-2,3,4,5-tetramethylcyclohexane?
1-butyl-2,3,4,5-tetramethylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3,4,5-tetramethylcyclohexane is sourced from PubChem (CID 167492243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).