cyclobutane;cyclopropane;ethane;methylcyclobutane

C57H136 — CID 158379868

IUPACcyclobutane;cyclopropane;ethane;methylcyclobutane
SMILESC1CC1.C1CC1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.CC1CCC1
InChIInChI=1S/2C5H10.4C4H8.3C3H6.11C2H6/c2*1-5-3-2-4-5;4*1-2-4-3-1;3*1-2-3-1;11*1-2/h2*5H,2-4H2,1H3;4*1-4H2;3*1-3H2;11*1-2H3
InChIKeyGVQRKBLNMHAUPJ-UHFFFAOYSA-N
MW821.72 g/mol
LogP24.65
Rot. Bonds

About cyclobutane;cyclopropane;ethane;methylcyclobutane

cyclobutane;cyclopropane;ethane;methylcyclobutane (PubChem CID 158379868) has the molecular formula C57H136 and a molecular weight of 821.72 g/mol. Its IUPAC name is cyclobutane;cyclopropane;ethane;methylcyclobutane.

Molecular Properties

Compound Namecyclobutane;cyclopropane;ethane;methylcyclobutane
PubChem CID158379868
Molecular FormulaC57H136
Molecular Weight821.72 g/mol
Exact Mass821.06
IUPAC Namecyclobutane;cyclopropane;ethane;methylcyclobutane
SMILESC1CC1.C1CC1.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.CC1CCC1
InChIInChI=1S/2C5H10.4C4H8.3C3H6.11C2H6/c2*1-5-3-2-4-5;4*1-2-4-3-1;3*1-2-3-1;11*1-2/h2*5H,2-4H2,1H3;4*1-4H2;3*1-3H2;11*1-2H3
InChIKeyGVQRKBLNMHAUPJ-UHFFFAOYSA-N
XLogP24.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.72
LogP ≤ 524.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;cyclopropane;ethane;methylcyclobutane?
The IUPAC name of cyclobutane;cyclopropane;ethane;methylcyclobutane (CID 158379868) 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.C1CC1.C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC1.CC1CCC1.
What is the InChIKey of cyclobutane;cyclopropane;ethane;methylcyclobutane?
The InChIKey is GVQRKBLNMHAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10.4C4H8.3C3H6.11C2H6/c2*1-5-3-2-4-5;4*1-2-4-3-1;3*1-2-3-1;11*1-2/h2*5H,2-4H2,1H3;4*1-4H2;3*1-3H2;11*1-2H3.
What are the key properties of cyclobutane;cyclopropane;ethane;methylcyclobutane?
cyclobutane;cyclopropane;ethane;methylcyclobutane has a molecular weight of 821.72 g/mol, XLogP of 24.65, 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 158379868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).