ethane;methanol;1,3-xylene

C11H20O — CID 156743127

IUPACethane;methanol;1,3-xylene
SMILESCC.CO.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C2H6.CH4O/c1-7-4-3-5-8(2)6-7;2*1-2/h3-6H,1-2H3;1-2H3;2H,1H3
InChIKeyOZHHMEHLMFLVED-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.94
Rot. Bonds

About ethane;methanol;1,3-xylene

ethane;methanol;1,3-xylene (PubChem CID 156743127) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;methanol;1,3-xylene.

Molecular Properties

Compound Nameethane;methanol;1,3-xylene
PubChem CID156743127
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameethane;methanol;1,3-xylene
SMILESCC.CO.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C2H6.CH4O/c1-7-4-3-5-8(2)6-7;2*1-2/h3-6H,1-2H3;1-2H3;2H,1H3
InChIKeyOZHHMEHLMFLVED-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,3-xylene
CID 54570178
ethane;methane;1,3-xylene
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ethane;1,3-xylene;1,4-xylene
CID 145425556
phosphane;tris(1,3-xylene)
CID 67351774
argon;1,3-xylene
CID 161468194
uranium;1,3-xylene
CID 142096795
ethane;propane;1,3-xylene
CID 144528046
azane;1,3-xylene;hydrochloride
CID 175000695
methane;1,3-xylene;1,4-xylene
CID 161051420
sulfuric acid;1,3-xylene
CID 70361760
cyanic acid;1,3-xylene
CID 174785758
carbon dioxide;1,3-xylene
CID 160806691

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1,3-xylene?
The IUPAC name of ethane;methanol;1,3-xylene (CID 156743127) is ethane;methanol;1,3-xylene.
What is the SMILES notation for ethane;methanol;1,3-xylene?
The canonical SMILES for ethane;methanol;1,3-xylene is CC.CO.Cc1cccc(C)c1.
What is the InChIKey of ethane;methanol;1,3-xylene?
The InChIKey is OZHHMEHLMFLVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H6.CH4O/c1-7-4-3-5-8(2)6-7;2*1-2/h3-6H,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1,3-xylene?
ethane;methanol;1,3-xylene has a molecular weight of 168.28 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1,3-xylene is sourced from PubChem (CID 156743127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).