benzene;1,2-diethylbenzene;1,2-xylene

C24H30 — CID 174742983

IUPACbenzene;1,2-diethylbenzene;1,2-xylene
SMILESCCc1ccccc1CC.Cc1ccccc1C.c1ccccc1
InChIInChI=1S/C10H14.C8H10.C6H6/c1-3-9-7-5-6-8-10(9)4-2;1-7-5-3-4-6-8(7)2;1-2-4-6-5-3-1/h5-8H,3-4H2,1-2H3;3-6H,1-2H3;1-6H
InChIKeyHQOPXQJOTWVGOK-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.80
Rot. Bonds2

About benzene;1,2-diethylbenzene;1,2-xylene

benzene;1,2-diethylbenzene;1,2-xylene (PubChem CID 174742983) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is benzene;1,2-diethylbenzene;1,2-xylene.

Molecular Properties

Compound Namebenzene;1,2-diethylbenzene;1,2-xylene
PubChem CID174742983
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Namebenzene;1,2-diethylbenzene;1,2-xylene
SMILESCCc1ccccc1CC.Cc1ccccc1C.c1ccccc1
InChIInChI=1S/C10H14.C8H10.C6H6/c1-3-9-7-5-6-8-10(9)4-2;1-7-5-3-4-6-8(7)2;1-2-4-6-5-3-1/h5-8H,3-4H2,1-2H3;3-6H,1-2H3;1-6H
InChIKeyHQOPXQJOTWVGOK-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.80
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 benzene;1,2-diethylbenzene;1,2-xylene?
The IUPAC name of benzene;1,2-diethylbenzene;1,2-xylene (CID 174742983) is benzene;1,2-diethylbenzene;1,2-xylene.
What is the SMILES notation for benzene;1,2-diethylbenzene;1,2-xylene?
The canonical SMILES for benzene;1,2-diethylbenzene;1,2-xylene is CCc1ccccc1CC.Cc1ccccc1C.c1ccccc1.
What is the InChIKey of benzene;1,2-diethylbenzene;1,2-xylene?
The InChIKey is HQOPXQJOTWVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C8H10.C6H6/c1-3-9-7-5-6-8-10(9)4-2;1-7-5-3-4-6-8(7)2;1-2-4-6-5-3-1/h5-8H,3-4H2,1-2H3;3-6H,1-2H3;1-6H.
What are the key properties of benzene;1,2-diethylbenzene;1,2-xylene?
benzene;1,2-diethylbenzene;1,2-xylene has a molecular weight of 318.50 g/mol, XLogP of 6.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,2-diethylbenzene;1,2-xylene is sourced from PubChem (CID 174742983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).