cyclopropane

C36H72 — CID 157140655

IUPACcyclopropane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/12C3H6/c12*1-2-3-1/h12*1-3H2
InChIKeyAKDMPTJVHKTYCR-UHFFFAOYSA-N
MW504.97 g/mol
LogP14.04
Rot. Bonds

About cyclopropane

cyclopropane (PubChem CID 157140655) has the molecular formula C36H72 and a molecular weight of 504.97 g/mol. Its IUPAC name is cyclopropane.

Molecular Properties

Compound Namecyclopropane
PubChem CID157140655
Molecular FormulaC36H72
Molecular Weight504.97 g/mol
Exact Mass504.56
IUPAC Namecyclopropane
SMILESC1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/12C3H6/c12*1-2-3-1/h12*1-3H2
InChIKeyAKDMPTJVHKTYCR-UHFFFAOYSA-N
XLogP14.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane?
The IUPAC name of cyclopropane (CID 157140655) is cyclopropane.
What is the SMILES notation for cyclopropane?
The canonical SMILES for cyclopropane is C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.
What is the InChIKey of cyclopropane?
The InChIKey is AKDMPTJVHKTYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/12C3H6/c12*1-2-3-1/h12*1-3H2.
What are the key properties of cyclopropane?
cyclopropane has a molecular weight of 504.97 g/mol, XLogP of 14.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane is sourced from PubChem (CID 157140655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).