ethane;1,3-xylene;1,4-xylene

C20H32 — CID 145425556

IUPACethane;1,3-xylene;1,4-xylene
SMILESCC.CC.Cc1ccc(C)cc1.Cc1cccc(C)c1
InChIInChI=1S/2C8H10.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3
InChIKeyYOKIRVUINNYBEQ-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.66
Rot. Bonds

About ethane;1,3-xylene;1,4-xylene

ethane;1,3-xylene;1,4-xylene (PubChem CID 145425556) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is ethane;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Nameethane;1,3-xylene;1,4-xylene
PubChem CID145425556
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Nameethane;1,3-xylene;1,4-xylene
SMILESCC.CC.Cc1ccc(C)cc1.Cc1cccc(C)c1
InChIInChI=1S/2C8H10.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3
InChIKeyYOKIRVUINNYBEQ-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.66
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 ethane;1,3-xylene;1,4-xylene?
The IUPAC name of ethane;1,3-xylene;1,4-xylene (CID 145425556) is ethane;1,3-xylene;1,4-xylene.
What is the SMILES notation for ethane;1,3-xylene;1,4-xylene?
The canonical SMILES for ethane;1,3-xylene;1,4-xylene is CC.CC.Cc1ccc(C)cc1.Cc1cccc(C)c1.
What is the InChIKey of ethane;1,3-xylene;1,4-xylene?
The InChIKey is YOKIRVUINNYBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10.2C2H6/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;2*1-2/h2*3-6H,1-2H3;2*1-2H3.
What are the key properties of ethane;1,3-xylene;1,4-xylene?
ethane;1,3-xylene;1,4-xylene has a molecular weight of 272.48 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-xylene;1,4-xylene is sourced from PubChem (CID 145425556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).