1-butyl-4-tert-butyl-2-ethylcyclohexane

C16H32 — CID 123975889

IUPAC1-butyl-4-tert-butyl-2-ethylcyclohexane
SMILESCCCCC1CCC(C(C)(C)C)CC1CC
InChIInChI=1S/C16H32/c1-6-8-9-14-10-11-15(16(3,4)5)12-13(14)7-2/h13-15H,6-12H2,1-5H3
InChIKeyWYGVQCYORHFYCT-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds4

About 1-butyl-4-tert-butyl-2-ethylcyclohexane

1-butyl-4-tert-butyl-2-ethylcyclohexane (PubChem CID 123975889) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-butyl-4-tert-butyl-2-ethylcyclohexane.

Molecular Properties

Compound Name1-butyl-4-tert-butyl-2-ethylcyclohexane
PubChem CID123975889
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-butyl-4-tert-butyl-2-ethylcyclohexane
SMILESCCCCC1CCC(C(C)(C)C)CC1CC
InChIInChI=1S/C16H32/c1-6-8-9-14-10-11-15(16(3,4)5)12-13(14)7-2/h13-15H,6-12H2,1-5H3
InChIKeyWYGVQCYORHFYCT-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-butyl-4-tert-butylcyclohexane
CID 63472618
2-butyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63401093
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
1-butyl-2-ethylcyclopentane
CID 522474
2-butyl-4-ethyl-1-propylcyclohexane
CID 123402768
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
(4-tert-butyl-2-pentylsulfinylcyclohexyl)methanamine
CID 107766846
(2-butylcyclopropyl)methanamine
CID 90757424

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-tert-butyl-2-ethylcyclohexane?
The IUPAC name of 1-butyl-4-tert-butyl-2-ethylcyclohexane (CID 123975889) is 1-butyl-4-tert-butyl-2-ethylcyclohexane.
What is the SMILES notation for 1-butyl-4-tert-butyl-2-ethylcyclohexane?
The canonical SMILES for 1-butyl-4-tert-butyl-2-ethylcyclohexane is CCCCC1CCC(C(C)(C)C)CC1CC.
What is the InChIKey of 1-butyl-4-tert-butyl-2-ethylcyclohexane?
The InChIKey is WYGVQCYORHFYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-8-9-14-10-11-15(16(3,4)5)12-13(14)7-2/h13-15H,6-12H2,1-5H3.
What are the key properties of 1-butyl-4-tert-butyl-2-ethylcyclohexane?
1-butyl-4-tert-butyl-2-ethylcyclohexane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-tert-butyl-2-ethylcyclohexane is sourced from PubChem (CID 123975889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).