benzene;ethane;propane

C15H32 — CID 91481654

IUPACbenzene;ethane;propane
SMILESCC.CC.CC.CCC.c1ccccc1
InChIInChI=1S/C6H6.C3H8.3C2H6/c1-2-4-6-5-3-1;1-3-2;3*1-2/h1-6H;3H2,1-2H3;3*1-2H3
InChIKeyNOFOWZRSTUOINK-UHFFFAOYSA-N
MW212.42 g/mol
LogP6.18
Rot. Bonds

About benzene;ethane;propane

benzene;ethane;propane (PubChem CID 91481654) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is benzene;ethane;propane.

Molecular Properties

Compound Namebenzene;ethane;propane
PubChem CID91481654
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Namebenzene;ethane;propane
SMILESCC.CC.CC.CCC.c1ccccc1
InChIInChI=1S/C6H6.C3H8.3C2H6/c1-2-4-6-5-3-1;1-3-2;3*1-2/h1-6H;3H2,1-2H3;3*1-2H3
InChIKeyNOFOWZRSTUOINK-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;propane?
The IUPAC name of benzene;ethane;propane (CID 91481654) is benzene;ethane;propane.
What is the SMILES notation for benzene;ethane;propane?
The canonical SMILES for benzene;ethane;propane is CC.CC.CC.CCC.c1ccccc1.
What is the InChIKey of benzene;ethane;propane?
The InChIKey is NOFOWZRSTUOINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H8.3C2H6/c1-2-4-6-5-3-1;1-3-2;3*1-2/h1-6H;3H2,1-2H3;3*1-2H3.
What are the key properties of benzene;ethane;propane?
benzene;ethane;propane has a molecular weight of 212.42 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;propane is sourced from PubChem (CID 91481654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).