cyclobutane;cyclopropane;ethane;methylcyclobutane

C47H114 — CID 159641047

IUPACcyclobutane;cyclopropane;ethane;methylcyclobutane
SMILESC1CC1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1
InChIInChI=1S/C5H10.4C4H8.2C3H6.10C2H6/c1-5-3-2-4-5;4*1-2-4-3-1;2*1-2-3-1;10*1-2/h5H,2-4H2,1H3;4*1-4H2;2*1-3H2;10*1-2H3
InChIKeyMQIXELLUCFYQGZ-UHFFFAOYSA-N
MW679.43 g/mol
LogP20.65
Rot. Bonds

About cyclobutane;cyclopropane;ethane;methylcyclobutane

cyclobutane;cyclopropane;ethane;methylcyclobutane (PubChem CID 159641047) has the molecular formula C47H114 and a molecular weight of 679.43 g/mol. Its IUPAC name is cyclobutane;cyclopropane;ethane;methylcyclobutane.

Molecular Properties

Compound Namecyclobutane;cyclopropane;ethane;methylcyclobutane
PubChem CID159641047
Molecular FormulaC47H114
Molecular Weight679.43 g/mol
Exact Mass678.89
IUPAC Namecyclobutane;cyclopropane;ethane;methylcyclobutane
SMILESC1CC1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1
InChIInChI=1S/C5H10.4C4H8.2C3H6.10C2H6/c1-5-3-2-4-5;4*1-2-4-3-1;2*1-2-3-1;10*1-2/h5H,2-4H2,1H3;4*1-4H2;2*1-3H2;10*1-2H3
InChIKeyMQIXELLUCFYQGZ-UHFFFAOYSA-N
XLogP20.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.43
LogP ≤ 520.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclobutane;ethane;methylcyclopropane
CID 143875535
Cyclobutane;ethane;2-methylbicyclo[1.1.0]butane
CID 145519028
Butane;methane;tetracyclo[2.1.0.01,3.02,5]pentane
CID 157129502
CID 157181736
CID 157181736
Cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
Cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 157737250
Methylcyclobutane;methylcyclopropane
CID 158327278
Cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 158379868
Cyclobutane;ethane;methylcyclobutane;methylcyclopropane
CID 158403555
Cyclobutane;ethane;methylcyclobutane;methylcyclopropane
CID 158639846
Butane;methylcyclobutane;methylcyclopropane
CID 158686716
Cyclobutane;cyclopropane;methylcyclobutane
CID 158689160

Frequently Asked Questions

What is the IUPAC name of cyclobutane;cyclopropane;ethane;methylcyclobutane?
The IUPAC name of cyclobutane;cyclopropane;ethane;methylcyclobutane (CID 159641047) is cyclobutane;cyclopropane;ethane;methylcyclobutane.
What is the SMILES notation for cyclobutane;cyclopropane;ethane;methylcyclobutane?
The canonical SMILES for cyclobutane;cyclopropane;ethane;methylcyclobutane is C1CC1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.
What is the InChIKey of cyclobutane;cyclopropane;ethane;methylcyclobutane?
The InChIKey is MQIXELLUCFYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.4C4H8.2C3H6.10C2H6/c1-5-3-2-4-5;4*1-2-4-3-1;2*1-2-3-1;10*1-2/h5H,2-4H2,1H3;4*1-4H2;2*1-3H2;10*1-2H3.
What are the key properties of cyclobutane;cyclopropane;ethane;methylcyclobutane?
cyclobutane;cyclopropane;ethane;methylcyclobutane has a molecular weight of 679.43 g/mol, XLogP of 20.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;cyclopropane;ethane;methylcyclobutane is sourced from PubChem (CID 159641047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).