cyclopropane;ethane;propane

C21H56 — CID 157315534

IUPACcyclopropane;ethane;propane
SMILESC1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CCC
InChIInChI=1S/2C3H6.C3H8.6C2H6/c2*1-2-3-1;1-3-2;6*1-2/h2*1-3H2;3H2,1-2H3;6*1-2H3
InChIKeyBDNWEYBFUPEYTI-UHFFFAOYSA-N
MW308.68 g/mol
LogP9.91
Rot. Bonds

About cyclopropane;ethane;propane

cyclopropane;ethane;propane (PubChem CID 157315534) has the molecular formula C21H56 and a molecular weight of 308.68 g/mol. Its IUPAC name is cyclopropane;ethane;propane.

Molecular Properties

Compound Namecyclopropane;ethane;propane
PubChem CID157315534
Molecular FormulaC21H56
Molecular Weight308.68 g/mol
Exact Mass308.44
IUPAC Namecyclopropane;ethane;propane
SMILESC1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CCC
InChIInChI=1S/2C3H6.C3H8.6C2H6/c2*1-2-3-1;1-3-2;6*1-2/h2*1-3H2;3H2,1-2H3;6*1-2H3
InChIKeyBDNWEYBFUPEYTI-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;propane?
The IUPAC name of cyclopropane;ethane;propane (CID 157315534) is cyclopropane;ethane;propane.
What is the SMILES notation for cyclopropane;ethane;propane?
The canonical SMILES for cyclopropane;ethane;propane is C1CC1.C1CC1.CC.CC.CC.CC.CC.CC.CCC.
What is the InChIKey of cyclopropane;ethane;propane?
The InChIKey is BDNWEYBFUPEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6.C3H8.6C2H6/c2*1-2-3-1;1-3-2;6*1-2/h2*1-3H2;3H2,1-2H3;6*1-2H3.
What are the key properties of cyclopropane;ethane;propane?
cyclopropane;ethane;propane has a molecular weight of 308.68 g/mol, XLogP of 9.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethane;propane is sourced from PubChem (CID 157315534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).