propane;prop-1-ene

C6H14 — CID 22016184

IUPACpropane;prop-1-ene
SMILESC=CC.CCC
InChIInChI=1S/C3H8.C3H6/c2*1-3-2/h3H2,1-2H3;3H,1H2,2H3
InChIKeyJTXAHXNXKFGXIT-UHFFFAOYSA-N
MW86.18 g/mol
LogP2.61
Rot. Bonds

About propane;prop-1-ene

propane;prop-1-ene (PubChem CID 22016184) has the molecular formula C6H14 and a molecular weight of 86.18 g/mol. Its IUPAC name is propane;prop-1-ene.

Molecular Properties

Compound Namepropane;prop-1-ene
PubChem CID22016184
Molecular FormulaC6H14
Molecular Weight86.18 g/mol
Exact Mass86.11
IUPAC Namepropane;prop-1-ene
SMILESC=CC.CCC
InChIInChI=1S/C3H8.C3H6/c2*1-3-2/h3H2,1-2H3;3H,1H2,2H3
InChIKeyJTXAHXNXKFGXIT-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propane;prop-1-ene?
The IUPAC name of propane;prop-1-ene (CID 22016184) is propane;prop-1-ene.
What is the SMILES notation for propane;prop-1-ene?
The canonical SMILES for propane;prop-1-ene is C=CC.CCC.
What is the InChIKey of propane;prop-1-ene?
The InChIKey is JTXAHXNXKFGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C3H6/c2*1-3-2/h3H2,1-2H3;3H,1H2,2H3.
What are the key properties of propane;prop-1-ene?
propane;prop-1-ene has a molecular weight of 86.18 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;prop-1-ene is sourced from PubChem (CID 22016184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).