2-butan-2-yl-1-methyl-1-propylcyclobutane

C12H24 — CID 145223890

IUPAC2-butan-2-yl-1-methyl-1-propylcyclobutane
SMILESCCCC1(C)CCC1C(C)CC
InChIInChI=1S/C12H24/c1-5-8-12(4)9-7-11(12)10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyQABYGWJVONMBAB-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.25
Rot. Bonds4

About 2-butan-2-yl-1-methyl-1-propylcyclobutane

2-butan-2-yl-1-methyl-1-propylcyclobutane (PubChem CID 145223890) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2-butan-2-yl-1-methyl-1-propylcyclobutane.

Molecular Properties

Compound Name2-butan-2-yl-1-methyl-1-propylcyclobutane
PubChem CID145223890
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2-butan-2-yl-1-methyl-1-propylcyclobutane
SMILESCCCC1(C)CCC1C(C)CC
InChIInChI=1S/C12H24/c1-5-8-12(4)9-7-11(12)10(3)6-2/h10-11H,5-9H2,1-4H3
InChIKeyQABYGWJVONMBAB-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1-methyl-1-propylcyclobutane?
The IUPAC name of 2-butan-2-yl-1-methyl-1-propylcyclobutane (CID 145223890) is 2-butan-2-yl-1-methyl-1-propylcyclobutane.
What is the SMILES notation for 2-butan-2-yl-1-methyl-1-propylcyclobutane?
The canonical SMILES for 2-butan-2-yl-1-methyl-1-propylcyclobutane is CCCC1(C)CCC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-1-methyl-1-propylcyclobutane?
The InChIKey is QABYGWJVONMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-5-8-12(4)9-7-11(12)10(3)6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-butan-2-yl-1-methyl-1-propylcyclobutane?
2-butan-2-yl-1-methyl-1-propylcyclobutane has a molecular weight of 168.32 g/mol, XLogP of 4.25, 4 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-methyl-1-propylcyclobutane is sourced from PubChem (CID 145223890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).