cyclopropane;ethane;methane;propane

C41H114 — CID 157127770

IUPACcyclopropane;ethane;methane;propane
SMILESC.C.C1CC1.C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC
InChIInChI=1S/3C3H6.2C3H8.12C2H6.2CH4/c3*1-2-3-1;2*1-3-2;12*1-2;;/h3*1-3H2;2*3H2,1-2H3;12*1-2H3;2*1H4
InChIKeyAISADHMZURMRJL-UHFFFAOYSA-N
MW607.36 g/mol
LogP19.93
Rot. Bonds

About cyclopropane;ethane;methane;propane

cyclopropane;ethane;methane;propane (PubChem CID 157127770) has the molecular formula C41H114 and a molecular weight of 607.36 g/mol. Its IUPAC name is cyclopropane;ethane;methane;propane.

Molecular Properties

Compound Namecyclopropane;ethane;methane;propane
PubChem CID157127770
Molecular FormulaC41H114
Molecular Weight607.36 g/mol
Exact Mass606.89
IUPAC Namecyclopropane;ethane;methane;propane
SMILESC.C.C1CC1.C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC
InChIInChI=1S/3C3H6.2C3H8.12C2H6.2CH4/c3*1-2-3-1;2*1-3-2;12*1-2;;/h3*1-3H2;2*3H2,1-2H3;12*1-2H3;2*1H4
InChIKeyAISADHMZURMRJL-UHFFFAOYSA-N
XLogP19.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.36
LogP ≤ 519.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;methane;propane?
The IUPAC name of cyclopropane;ethane;methane;propane (CID 157127770) is cyclopropane;ethane;methane;propane.
What is the SMILES notation for cyclopropane;ethane;methane;propane?
The canonical SMILES for cyclopropane;ethane;methane;propane is C.C.C1CC1.C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.
What is the InChIKey of cyclopropane;ethane;methane;propane?
The InChIKey is AISADHMZURMRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6.2C3H8.12C2H6.2CH4/c3*1-2-3-1;2*1-3-2;12*1-2;;/h3*1-3H2;2*3H2,1-2H3;12*1-2H3;2*1H4.
What are the key properties of cyclopropane;ethane;methane;propane?
cyclopropane;ethane;methane;propane has a molecular weight of 607.36 g/mol, XLogP of 19.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethane;methane;propane is sourced from PubChem (CID 157127770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).