ethane;methanol;1,4-xylene

C13H26O — CID 171074418

IUPACethane;methanol;1,4-xylene
SMILESCC.CC.CO.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.2C2H6.CH4O/c1-7-3-5-8(2)6-4-7;3*1-2/h3-6H,1-2H3;2*1-2H3;2H,1H3
InChIKeyFQYLGSDIOSCHEJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.96
Rot. Bonds

About ethane;methanol;1,4-xylene

ethane;methanol;1,4-xylene (PubChem CID 171074418) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;methanol;1,4-xylene.

Molecular Properties

Compound Nameethane;methanol;1,4-xylene
PubChem CID171074418
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameethane;methanol;1,4-xylene
SMILESCC.CC.CO.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.2C2H6.CH4O/c1-7-3-5-8(2)6-4-7;3*1-2/h3-6H,1-2H3;2*1-2H3;2H,1H3
InChIKeyFQYLGSDIOSCHEJ-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;1,4-xylene?
The IUPAC name of ethane;methanol;1,4-xylene (CID 171074418) is ethane;methanol;1,4-xylene.
What is the SMILES notation for ethane;methanol;1,4-xylene?
The canonical SMILES for ethane;methanol;1,4-xylene is CC.CC.CO.Cc1ccc(C)cc1.
What is the InChIKey of ethane;methanol;1,4-xylene?
The InChIKey is FQYLGSDIOSCHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C2H6.CH4O/c1-7-3-5-8(2)6-4-7;3*1-2/h3-6H,1-2H3;2*1-2H3;2H,1H3.
What are the key properties of ethane;methanol;1,4-xylene?
ethane;methanol;1,4-xylene has a molecular weight of 198.35 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;1,4-xylene is sourced from PubChem (CID 171074418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).