ethane;1,3-xylene

C10H16 — CID 54570178

IUPACethane;1,3-xylene
SMILESCC.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C2H6/c1-7-4-3-5-8(2)6-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyZWRRCXDCXWEDRJ-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds

About ethane;1,3-xylene

ethane;1,3-xylene (PubChem CID 54570178) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is ethane;1,3-xylene.

Molecular Properties

Compound Nameethane;1,3-xylene
PubChem CID54570178
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Nameethane;1,3-xylene
SMILESCC.Cc1cccc(C)c1
InChIInChI=1S/C8H10.C2H6/c1-7-4-3-5-8(2)6-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyZWRRCXDCXWEDRJ-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;1,3-xylene
CID 145463381
ethane;methanol;1,3-xylene
CID 156743127
ethane;1,3-xylene;1,4-xylene
CID 145425556
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CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;propane;1,3-xylene
CID 144528046
azane;1,3-xylene;hydrochloride
CID 175000695
methane;1,3-xylene;1,4-xylene
CID 161051420
carbon dioxide;1,3-xylene
CID 160806691
dioxoosmium;1,3-xylene
CID 57347095
ethane;pentane;1,3-xylene
CID 142052962

Frequently Asked Questions

What is the IUPAC name of ethane;1,3-xylene?
The IUPAC name of ethane;1,3-xylene (CID 54570178) is ethane;1,3-xylene.
What is the SMILES notation for ethane;1,3-xylene?
The canonical SMILES for ethane;1,3-xylene is CC.Cc1cccc(C)c1.
What is the InChIKey of ethane;1,3-xylene?
The InChIKey is ZWRRCXDCXWEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H6/c1-7-4-3-5-8(2)6-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;1,3-xylene?
ethane;1,3-xylene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 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 is sourced from PubChem (CID 54570178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).