cyclopropane;ethane;2-methylpropane

C16H40 — CID 157207682

IUPACcyclopropane;ethane;2-methylpropane
SMILESC1CC1.C1CC1.CC.CC.CC.CC(C)C
InChIInChI=1S/C4H10.2C3H6.3C2H6/c1-4(2)3;2*1-2-3-1;3*1-2/h4H,1-3H3;2*1-3H2;3*1-2H3
InChIKeyARNOBJSHOIBGQB-UHFFFAOYSA-N
MW232.50 g/mol
LogP7.08
Rot. Bonds

About cyclopropane;ethane;2-methylpropane

cyclopropane;ethane;2-methylpropane (PubChem CID 157207682) has the molecular formula C16H40 and a molecular weight of 232.50 g/mol. Its IUPAC name is cyclopropane;ethane;2-methylpropane.

Molecular Properties

Compound Namecyclopropane;ethane;2-methylpropane
PubChem CID157207682
Molecular FormulaC16H40
Molecular Weight232.50 g/mol
Exact Mass232.31
IUPAC Namecyclopropane;ethane;2-methylpropane
SMILESC1CC1.C1CC1.CC.CC.CC.CC(C)C
InChIInChI=1S/C4H10.2C3H6.3C2H6/c1-4(2)3;2*1-2-3-1;3*1-2/h4H,1-3H3;2*1-3H2;3*1-2H3
InChIKeyARNOBJSHOIBGQB-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.50
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;ethane;2-methylpropane?
The IUPAC name of cyclopropane;ethane;2-methylpropane (CID 157207682) is cyclopropane;ethane;2-methylpropane.
What is the SMILES notation for cyclopropane;ethane;2-methylpropane?
The canonical SMILES for cyclopropane;ethane;2-methylpropane is C1CC1.C1CC1.CC.CC.CC.CC(C)C.
What is the InChIKey of cyclopropane;ethane;2-methylpropane?
The InChIKey is ARNOBJSHOIBGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2C3H6.3C2H6/c1-4(2)3;2*1-2-3-1;3*1-2/h4H,1-3H3;2*1-3H2;3*1-2H3.
What are the key properties of cyclopropane;ethane;2-methylpropane?
cyclopropane;ethane;2-methylpropane has a molecular weight of 232.50 g/mol, XLogP of 7.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;ethane;2-methylpropane is sourced from PubChem (CID 157207682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).