ethane;molecular hydrogen;propane

C7H22 — CID 145405641

IUPACethane;molecular hydrogen;propane
SMILESCC.CC.CCC.[H][H]
InChIInChI=1S/C3H8.2C2H6.H2/c1-3-2;2*1-2;/h3H2,1-2H3;2*1-2H3;1H
InChIKeyAHOLLMLCQLCXND-UHFFFAOYSA-N
MW106.25 g/mol
LogP3.71
Rot. Bonds

About ethane;molecular hydrogen;propane

ethane;molecular hydrogen;propane (PubChem CID 145405641) has the molecular formula C7H22 and a molecular weight of 106.25 g/mol. Its IUPAC name is ethane;molecular hydrogen;propane.

Molecular Properties

Compound Nameethane;molecular hydrogen;propane
PubChem CID145405641
Molecular FormulaC7H22
Molecular Weight106.25 g/mol
Exact Mass106.17
IUPAC Nameethane;molecular hydrogen;propane
SMILESCC.CC.CCC.[H][H]
InChIInChI=1S/C3H8.2C2H6.H2/c1-3-2;2*1-2;/h3H2,1-2H3;2*1-2H3;1H
InChIKeyAHOLLMLCQLCXND-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;propane?
The IUPAC name of ethane;molecular hydrogen;propane (CID 145405641) is ethane;molecular hydrogen;propane.
What is the SMILES notation for ethane;molecular hydrogen;propane?
The canonical SMILES for ethane;molecular hydrogen;propane is CC.CC.CCC.[H][H].
What is the InChIKey of ethane;molecular hydrogen;propane?
The InChIKey is AHOLLMLCQLCXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.2C2H6.H2/c1-3-2;2*1-2;/h3H2,1-2H3;2*1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;propane?
ethane;molecular hydrogen;propane has a molecular weight of 106.25 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;propane is sourced from PubChem (CID 145405641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).