ethane;bis(1-ethyl-3-methylbenzene)

C20H30 — CID 142878274

IUPACethane;bis(1-ethyl-3-methylbenzene)
SMILESCC.CCc1cccc(C)c1.CCc1cccc(C)c1
InChIInChI=1S/2C9H12.C2H6/c2*1-3-9-6-4-5-8(2)7-9;1-2/h2*4-7H,3H2,1-2H3;1-2H3
InChIKeyDQPGQYRCPGHVOE-UHFFFAOYSA-N
MW270.46 g/mol
LogP6.14
Rot. Bonds2

About ethane;bis(1-ethyl-3-methylbenzene)

ethane;bis(1-ethyl-3-methylbenzene) (PubChem CID 142878274) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is ethane;bis(1-ethyl-3-methylbenzene).

Molecular Properties

Compound Nameethane;bis(1-ethyl-3-methylbenzene)
PubChem CID142878274
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Nameethane;bis(1-ethyl-3-methylbenzene)
SMILESCC.CCc1cccc(C)c1.CCc1cccc(C)c1
InChIInChI=1S/2C9H12.C2H6/c2*1-3-9-6-4-5-8(2)7-9;1-2/h2*4-7H,3H2,1-2H3;1-2H3
InChIKeyDQPGQYRCPGHVOE-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-ethyl-3-methylbenzene)?
The IUPAC name of ethane;bis(1-ethyl-3-methylbenzene) (CID 142878274) is ethane;bis(1-ethyl-3-methylbenzene).
What is the SMILES notation for ethane;bis(1-ethyl-3-methylbenzene)?
The canonical SMILES for ethane;bis(1-ethyl-3-methylbenzene) is CC.CCc1cccc(C)c1.CCc1cccc(C)c1.
What is the InChIKey of ethane;bis(1-ethyl-3-methylbenzene)?
The InChIKey is DQPGQYRCPGHVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12.C2H6/c2*1-3-9-6-4-5-8(2)7-9;1-2/h2*4-7H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;bis(1-ethyl-3-methylbenzene)?
ethane;bis(1-ethyl-3-methylbenzene) has a molecular weight of 270.46 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-ethyl-3-methylbenzene) is sourced from PubChem (CID 142878274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).