benzene;propane

C9H14 — CID 22402732

IUPACbenzene;propane
SMILESCCC.c1ccccc1
InChIInChI=1S/C6H6.C3H8/c1-2-4-6-5-3-1;1-3-2/h1-6H;3H2,1-2H3
InChIKeyFGVFLAKGWUZGGE-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.10
Rot. Bonds

About benzene;propane

benzene;propane (PubChem CID 22402732) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is benzene;propane.

Molecular Properties

Compound Namebenzene;propane
PubChem CID22402732
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namebenzene;propane
SMILESCCC.c1ccccc1
InChIInChI=1S/C6H6.C3H8/c1-2-4-6-5-3-1;1-3-2/h1-6H;3H2,1-2H3
InChIKeyFGVFLAKGWUZGGE-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;propane?
The IUPAC name of benzene;propane (CID 22402732) is benzene;propane.
What is the SMILES notation for benzene;propane?
The canonical SMILES for benzene;propane is CCC.c1ccccc1.
What is the InChIKey of benzene;propane?
The InChIKey is FGVFLAKGWUZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H8/c1-2-4-6-5-3-1;1-3-2/h1-6H;3H2,1-2H3.
What are the key properties of benzene;propane?
benzene;propane has a molecular weight of 122.21 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;propane is sourced from PubChem (CID 22402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).