benzene;propane;toluene

C26H38 — CID 91053661

IUPACbenzene;propane;toluene
SMILESCCC.CCC.Cc1ccccc1.Cc1ccccc1.c1ccccc1
InChIInChI=1S/2C7H8.C6H6.2C3H8/c2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2*1-3-2/h2*2-6H,1H3;1-6H;2*3H2,1-2H3
InChIKeyPTWHAIGZRBGWFC-UHFFFAOYSA-N
MW350.59 g/mol
LogP8.51
Rot. Bonds

About benzene;propane;toluene

benzene;propane;toluene (PubChem CID 91053661) has the molecular formula C26H38 and a molecular weight of 350.59 g/mol. Its IUPAC name is benzene;propane;toluene.

Molecular Properties

Compound Namebenzene;propane;toluene
PubChem CID91053661
Molecular FormulaC26H38
Molecular Weight350.59 g/mol
Exact Mass350.30
IUPAC Namebenzene;propane;toluene
SMILESCCC.CCC.Cc1ccccc1.Cc1ccccc1.c1ccccc1
InChIInChI=1S/2C7H8.C6H6.2C3H8/c2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2*1-3-2/h2*2-6H,1H3;1-6H;2*3H2,1-2H3
InChIKeyPTWHAIGZRBGWFC-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.59
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;propane;toluene?
The IUPAC name of benzene;propane;toluene (CID 91053661) is benzene;propane;toluene.
What is the SMILES notation for benzene;propane;toluene?
The canonical SMILES for benzene;propane;toluene is CCC.CCC.Cc1ccccc1.Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;propane;toluene?
The InChIKey is PTWHAIGZRBGWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8.C6H6.2C3H8/c2*1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;2*1-3-2/h2*2-6H,1H3;1-6H;2*3H2,1-2H3.
What are the key properties of benzene;propane;toluene?
benzene;propane;toluene has a molecular weight of 350.59 g/mol, XLogP of 8.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;propane;toluene is sourced from PubChem (CID 91053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).