1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane

C21H44 — CID 143343617

IUPAC1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane
SMILESCC.CCC(C)C1CC(C(C)C)CC(C(C)C)C1C(C)C
InChIInChI=1S/C19H38.C2H6/c1-9-15(8)18-11-16(12(2)3)10-17(13(4)5)19(18)14(6)7;1-2/h12-19H,9-11H2,1-8H3;1-2H3
InChIKeyGPSNMYSHUQBAFX-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.29
Rot. Bonds5

About 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane

1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane (PubChem CID 143343617) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane.

Molecular Properties

Compound Name1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane
PubChem CID143343617
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane
SMILESCC.CCC(C)C1CC(C(C)C)CC(C(C)C)C1C(C)C
InChIInChI=1S/C19H38.C2H6/c1-9-15(8)18-11-16(12(2)3)10-17(13(4)5)19(18)14(6)7;1-2/h12-19H,9-11H2,1-8H3;1-2H3
InChIKeyGPSNMYSHUQBAFX-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 142893702
2-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79423802
1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 101318409
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
CID 90951781
1-butan-2-yl-3,6-dimethylcyclooctane;2-methyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 143344345
1,2-diethyl-3,4-di(propan-2-yl)cyclopentane
CID 143342433
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane?
The IUPAC name of 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane (CID 143343617) is 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane.
What is the SMILES notation for 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane?
The canonical SMILES for 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane is CC.CCC(C)C1CC(C(C)C)CC(C(C)C)C1C(C)C.
What is the InChIKey of 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane?
The InChIKey is GPSNMYSHUQBAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38.C2H6/c1-9-15(8)18-11-16(12(2)3)10-17(13(4)5)19(18)14(6)7;1-2/h12-19H,9-11H2,1-8H3;1-2H3.
What are the key properties of 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane?
1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane has a molecular weight of 296.58 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2,3,5-tri(propan-2-yl)cyclohexane;ethane is sourced from PubChem (CID 143343617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).