2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane

C25H44 — CID 173430689

IUPAC2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane
SMILESCCCCC1(C2CC(C3CCC3)C2(CCC)C2CC(CC)C2)CCC1
InChIInChI=1S/C25H44/c1-4-7-13-24(14-9-15-24)23-18-22(20-10-8-11-20)25(23,12-5-2)21-16-19(6-3)17-21/h19-23H,4-18H2,1-3H3
InChIKeyPMIAXPHKDSCZTB-UHFFFAOYSA-N
MW344.63 g/mol
LogP8.01
Rot. Bonds9

About 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane

2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane (PubChem CID 173430689) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane.

Molecular Properties

Compound Name2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane
PubChem CID173430689
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane
SMILESCCCCC1(C2CC(C3CCC3)C2(CCC)C2CC(CC)C2)CCC1
InChIInChI=1S/C25H44/c1-4-7-13-24(14-9-15-24)23-18-22(20-10-8-11-20)25(23,12-5-2)21-16-19(6-3)17-21/h19-23H,4-18H2,1-3H3
InChIKeyPMIAXPHKDSCZTB-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane?
The IUPAC name of 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane (CID 173430689) is 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane.
What is the SMILES notation for 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane?
The canonical SMILES for 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane is CCCCC1(C2CC(C3CCC3)C2(CCC)C2CC(CC)C2)CCC1.
What is the InChIKey of 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane?
The InChIKey is PMIAXPHKDSCZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44/c1-4-7-13-24(14-9-15-24)23-18-22(20-10-8-11-20)25(23,12-5-2)21-16-19(6-3)17-21/h19-23H,4-18H2,1-3H3.
What are the key properties of 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane?
2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane has a molecular weight of 344.63 g/mol, XLogP of 8.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylcyclobutyl)-4-cyclobutyl-1-(3-ethylcyclobutyl)-1-propylcyclobutane is sourced from PubChem (CID 173430689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).