cyclobutane;ethane;methylcyclobutane;methylcyclopropane

C41H98 — CID 158403555

IUPACcyclobutane;ethane;methylcyclobutane;methylcyclopropane
SMILESC1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.CC1CCC1
InChIInChI=1S/C5H10.5C4H8.8C2H6/c1-5-3-2-4-5;1-4-2-3-4;4*1-2-4-3-1;8*1-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;4*1-4H2;8*1-2H3
InChIKeyGYKAGSFTOMSLMQ-UHFFFAOYSA-N
MW591.24 g/mol
LogP17.67
Rot. Bonds

About cyclobutane;ethane;methylcyclobutane;methylcyclopropane

cyclobutane;ethane;methylcyclobutane;methylcyclopropane (PubChem CID 158403555) has the molecular formula C41H98 and a molecular weight of 591.24 g/mol. Its IUPAC name is cyclobutane;ethane;methylcyclobutane;methylcyclopropane.

Molecular Properties

Compound Namecyclobutane;ethane;methylcyclobutane;methylcyclopropane
PubChem CID158403555
Molecular FormulaC41H98
Molecular Weight591.24 g/mol
Exact Mass590.77
IUPAC Namecyclobutane;ethane;methylcyclobutane;methylcyclopropane
SMILESC1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.CC1CCC1
InChIInChI=1S/C5H10.5C4H8.8C2H6/c1-5-3-2-4-5;1-4-2-3-4;4*1-2-4-3-1;8*1-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;4*1-4H2;8*1-2H3
InChIKeyGYKAGSFTOMSLMQ-UHFFFAOYSA-N
XLogP17.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.24
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutane;ethane;methylcyclobutane;methylcyclopropane?
The IUPAC name of cyclobutane;ethane;methylcyclobutane;methylcyclopropane (CID 158403555) is cyclobutane;ethane;methylcyclobutane;methylcyclopropane.
What is the SMILES notation for cyclobutane;ethane;methylcyclobutane;methylcyclopropane?
The canonical SMILES for cyclobutane;ethane;methylcyclobutane;methylcyclopropane is C1CCC1.C1CCC1.C1CCC1.C1CCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC1CC1.CC1CCC1.
What is the InChIKey of cyclobutane;ethane;methylcyclobutane;methylcyclopropane?
The InChIKey is GYKAGSFTOMSLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.5C4H8.8C2H6/c1-5-3-2-4-5;1-4-2-3-4;4*1-2-4-3-1;8*1-2/h5H,2-4H2,1H3;4H,2-3H2,1H3;4*1-4H2;8*1-2H3.
What are the key properties of cyclobutane;ethane;methylcyclobutane;methylcyclopropane?
cyclobutane;ethane;methylcyclobutane;methylcyclopropane has a molecular weight of 591.24 g/mol, XLogP of 17.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;ethane;methylcyclobutane;methylcyclopropane is sourced from PubChem (CID 158403555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).