cyclopropane;methane

C49H100 — CID 157215256

IUPACcyclopropane;methane
SMILESC.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/16C3H6.CH4/c16*1-2-3-1;/h16*1-3H2;1H4
InChIKeyASINBEFHPCLVGC-UHFFFAOYSA-N
MW689.34 g/mol
LogP19.36
Rot. Bonds

About cyclopropane;methane

cyclopropane;methane (PubChem CID 157215256) has the molecular formula C49H100 and a molecular weight of 689.34 g/mol. Its IUPAC name is cyclopropane;methane.

Molecular Properties

Compound Namecyclopropane;methane
PubChem CID157215256
Molecular FormulaC49H100
Molecular Weight689.34 g/mol
Exact Mass688.78
IUPAC Namecyclopropane;methane
SMILESC.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1
InChIInChI=1S/16C3H6.CH4/c16*1-2-3-1;/h16*1-3H2;1H4
InChIKeyASINBEFHPCLVGC-UHFFFAOYSA-N
XLogP19.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.34
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;methane?
The IUPAC name of cyclopropane;methane (CID 157215256) is cyclopropane;methane.
What is the SMILES notation for cyclopropane;methane?
The canonical SMILES for cyclopropane;methane is C.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.C1CC1.
What is the InChIKey of cyclopropane;methane?
The InChIKey is ASINBEFHPCLVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/16C3H6.CH4/c16*1-2-3-1;/h16*1-3H2;1H4.
What are the key properties of cyclopropane;methane?
cyclopropane;methane has a molecular weight of 689.34 g/mol, XLogP of 19.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;methane is sourced from PubChem (CID 157215256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).