cyclobutane;cyclopropane;methylcyclobutane

C16H32 — CID 158689160

IUPACcyclobutane;cyclopropane;methylcyclobutane
SMILESC1CC1.C1CCC1.C1CCC1.CC1CCC1
InChIInChI=1S/C5H10.2C4H8.C3H6/c1-5-3-2-4-5;2*1-2-4-3-1;1-2-3-1/h5H,2-4H2,1H3;2*1-4H2;1-3H2
InChIKeyIGCWHSCRQAVGSV-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.10
Rot. Bonds

About cyclobutane;cyclopropane;methylcyclobutane

cyclobutane;cyclopropane;methylcyclobutane (PubChem CID 158689160) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is cyclobutane;cyclopropane;methylcyclobutane.

Molecular Properties

Compound Namecyclobutane;cyclopropane;methylcyclobutane
PubChem CID158689160
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Namecyclobutane;cyclopropane;methylcyclobutane
SMILESC1CC1.C1CCC1.C1CCC1.CC1CCC1
InChIInChI=1S/C5H10.2C4H8.C3H6/c1-5-3-2-4-5;2*1-2-4-3-1;1-2-3-1/h5H,2-4H2,1H3;2*1-4H2;1-3H2
InChIKeyIGCWHSCRQAVGSV-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;cyclopropane;methylcyclobutane?
The IUPAC name of cyclobutane;cyclopropane;methylcyclobutane (CID 158689160) is cyclobutane;cyclopropane;methylcyclobutane.
What is the SMILES notation for cyclobutane;cyclopropane;methylcyclobutane?
The canonical SMILES for cyclobutane;cyclopropane;methylcyclobutane is C1CC1.C1CCC1.C1CCC1.CC1CCC1.
What is the InChIKey of cyclobutane;cyclopropane;methylcyclobutane?
The InChIKey is IGCWHSCRQAVGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.2C4H8.C3H6/c1-5-3-2-4-5;2*1-2-4-3-1;1-2-3-1/h5H,2-4H2,1H3;2*1-4H2;1-3H2.
What are the key properties of cyclobutane;cyclopropane;methylcyclobutane?
cyclobutane;cyclopropane;methylcyclobutane has a molecular weight of 224.43 g/mol, XLogP of 6.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;cyclopropane;methylcyclobutane is sourced from PubChem (CID 158689160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).