propane

C3H8 — CID 6334

IUPACpropane
SMILESCCC
InChIInChI=1S/C3H8/c1-3-2/h3H2,1-2H3
InChIKeyATUOYWHBWRKTHZ-UHFFFAOYSA-N
MW44.10 g/mol
LogP1.42
Rot. Bonds

About propane

propane (PubChem CID 6334) has the molecular formula C3H8 and a molecular weight of 44.10 g/mol. Its IUPAC name is propane.

Molecular Properties

Compound Namepropane
PubChem CID6334
Molecular FormulaC3H8
Molecular Weight44.10 g/mol
Exact Mass44.06
IUPAC Namepropane
SMILESCCC
InChIInChI=1S/C3H8/c1-3-2/h3H2,1-2H3
InChIKeyATUOYWHBWRKTHZ-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50044.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Butane
CID 7843
Propane-d8
CID 137750
Propane-1,1,1,3,3,3-d6
CID 137751
Propane-2,2-d2
CID 6914130
Butane-d10
CID 16213391
Propane-1,1,1,2,3,3,3-D7
CID 10511085
Butane-1-13C
CID 11535546
Propane (1-13C)
CID 12314535
(1,1,1,4,4,4-~2~H_6_)Butane
CID 16213390
(~13~C_4_)Butane
CID 71309065
CID 4610720
CID 4610720
Butane-1,1,1-d3
CID 12205548

Frequently Asked Questions

What is the IUPAC name of propane?
The IUPAC name of propane (CID 6334) is propane.
What is the SMILES notation for propane?
The canonical SMILES for propane is CCC.
What is the InChIKey of propane?
The InChIKey is ATUOYWHBWRKTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8/c1-3-2/h3H2,1-2H3.
What are the key properties of propane?
propane has a molecular weight of 44.10 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane is sourced from PubChem (CID 6334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).