propane;1,2-xylene;1,3-xylene

C22H36 — CID 153377631

IUPACpropane;1,2-xylene;1,3-xylene
SMILESCCC.CCC.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/2C8H10.2C3H8/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-3-2/h2*3-6H,1-2H3;2*3H2,1-2H3
InChIKeyIIAHIUWBRMGZRI-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.44
Rot. Bonds

About propane;1,2-xylene;1,3-xylene

propane;1,2-xylene;1,3-xylene (PubChem CID 153377631) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is propane;1,2-xylene;1,3-xylene.

Molecular Properties

Compound Namepropane;1,2-xylene;1,3-xylene
PubChem CID153377631
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Namepropane;1,2-xylene;1,3-xylene
SMILESCCC.CCC.Cc1cccc(C)c1.Cc1ccccc1C
InChIInChI=1S/2C8H10.2C3H8/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-3-2/h2*3-6H,1-2H3;2*3H2,1-2H3
InChIKeyIIAHIUWBRMGZRI-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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ethylbenzene;toluene;1,2-xylene;1,3-xylene;1,4-xylene
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toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
2,6-dimethylpyridine;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene
CID 143940909
1,4-dimethylcyclohexa-1,3-diene;1,2-xylene;1,3-xylene
CID 164863410
ethane;1,3-xylene
CID 54570178
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CID 67351774
argon;1,3-xylene
CID 161468194
uranium;1,3-xylene
CID 142096795
anthracene;benzene;9,10-dimethylanthracene;ethane;9-methylanthracene;naphthalene;propane;1,2-xylene;1,3-xylene;1,4-xylene
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Frequently Asked Questions

What is the IUPAC name of propane;1,2-xylene;1,3-xylene?
The IUPAC name of propane;1,2-xylene;1,3-xylene (CID 153377631) is propane;1,2-xylene;1,3-xylene.
What is the SMILES notation for propane;1,2-xylene;1,3-xylene?
The canonical SMILES for propane;1,2-xylene;1,3-xylene is CCC.CCC.Cc1cccc(C)c1.Cc1ccccc1C.
What is the InChIKey of propane;1,2-xylene;1,3-xylene?
The InChIKey is IIAHIUWBRMGZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.2C3H8/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;2*1-3-2/h2*3-6H,1-2H3;2*3H2,1-2H3.
What are the key properties of propane;1,2-xylene;1,3-xylene?
propane;1,2-xylene;1,3-xylene has a molecular weight of 300.53 g/mol, XLogP of 7.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1,2-xylene;1,3-xylene is sourced from PubChem (CID 153377631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).