1,3-diethyl-5-methylbenzene

C11H16 — CID 16302

IUPAC1,3-diethyl-5-methylbenzene
SMILESCCc1cc(C)cc(CC)c1
InChIInChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3
InChIKeyHILAULICMJUOLK-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.12
Rot. Bonds2

About 1,3-diethyl-5-methylbenzene

1,3-diethyl-5-methylbenzene (PubChem CID 16302) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,3-diethyl-5-methylbenzene.

Molecular Properties

Compound Name1,3-diethyl-5-methylbenzene
PubChem CID16302
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,3-diethyl-5-methylbenzene
SMILESCCc1cc(C)cc(CC)c1
InChIInChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3
InChIKeyHILAULICMJUOLK-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-5-methylbenzene?
The IUPAC name of 1,3-diethyl-5-methylbenzene (CID 16302) is 1,3-diethyl-5-methylbenzene.
What is the SMILES notation for 1,3-diethyl-5-methylbenzene?
The canonical SMILES for 1,3-diethyl-5-methylbenzene is CCc1cc(C)cc(CC)c1.
What is the InChIKey of 1,3-diethyl-5-methylbenzene?
The InChIKey is HILAULICMJUOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-4-10-6-9(3)7-11(5-2)8-10/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-5-methylbenzene?
1,3-diethyl-5-methylbenzene has a molecular weight of 148.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-5-methylbenzene is sourced from PubChem (CID 16302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).