benzene;propane

C15H20 — CID 91272297

IUPACbenzene;propane
SMILESCCC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8/c2*1-2-4-6-5-3-1;1-3-2/h2*1-6H;3H2,1-2H3
InChIKeyIQWCMCBBBRQZRO-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.79
Rot. Bonds

About benzene;propane

benzene;propane (PubChem CID 91272297) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is benzene;propane.

Molecular Properties

Compound Namebenzene;propane
PubChem CID91272297
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namebenzene;propane
SMILESCCC.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C3H8/c2*1-2-4-6-5-3-1;1-3-2/h2*1-6H;3H2,1-2H3
InChIKeyIQWCMCBBBRQZRO-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.79
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 91272297) is benzene;propane.
What is the SMILES notation for benzene;propane?
The canonical SMILES for benzene;propane is CCC.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;propane?
The InChIKey is IQWCMCBBBRQZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C3H8/c2*1-2-4-6-5-3-1;1-3-2/h2*1-6H;3H2,1-2H3.
What are the key properties of benzene;propane?
benzene;propane has a molecular weight of 200.32 g/mol, XLogP of 4.79, 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 91272297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).