2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane

C15H30 — CID 123673785

IUPAC2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
SMILESCCCCC1(C)C(CC)CC1C(C)CC
InChIInChI=1S/C15H30/c1-6-9-10-15(5)13(8-3)11-14(15)12(4)7-2/h12-14H,6-11H2,1-5H3
InChIKeyUXROMDUPULUYSX-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.28
Rot. Bonds6

About 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane

2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane (PubChem CID 123673785) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane.

Molecular Properties

Compound Name2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
PubChem CID123673785
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane
SMILESCCCCC1(C)C(CC)CC1C(C)CC
InChIInChI=1S/C15H30/c1-6-9-10-15(5)13(8-3)11-14(15)12(4)7-2/h12-14H,6-11H2,1-5H3
InChIKeyUXROMDUPULUYSX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-butan-2-yl-1-methyl-1-(2-methylbutyl)-4-propylcyclobutane
CID 123269538
2-butan-2-yl-1-methyl-1-pentylcyclopropane
CID 123764144
2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 91239546
(2S)-2-ethyl-1,1-dimethyl-4-propan-2-ylcyclobutane
CID 162292361
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
1-butyl-1-methyl-2-propan-2-ylcyclopropane
CID 91325328
1,2-dimethyl-1-pentyl-3-propan-2-ylcyclopropane
CID 90804985
6-[2-butyl-3-(1-hydroxyethyl)-2-methylcyclopentyl]-2-methylhexan-2-ol
CID 143286899
1,1-dibutyl-2-ethylcyclobutane
CID 123938978
(1R)-1-[(1R,2R)-2-butyl-2-methylcyclopropyl]-2-methylpropan-1-ol
CID 102319002
(2-butan-2-yl-1-methylcyclopropyl)-trimethylazanium
CID 123785816
1-butyl-1-methyl-3-propan-2-ylcyclobutane
CID 162724820

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane?
The IUPAC name of 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane (CID 123673785) is 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane.
What is the SMILES notation for 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane?
The canonical SMILES for 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane is CCCCC1(C)C(CC)CC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane?
The InChIKey is UXROMDUPULUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-9-10-15(5)13(8-3)11-14(15)12(4)7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane?
2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane has a molecular weight of 210.40 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1-butyl-4-ethyl-1-methylcyclobutane is sourced from PubChem (CID 123673785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).