1,2-diethyl-3-(3-ethylpentan-3-yl)benzene

C17H28 — CID 19809738

IUPAC1,2-diethyl-3-(3-ethylpentan-3-yl)benzene
SMILESCCc1cccc(C(CC)(CC)CC)c1CC
InChIInChI=1S/C17H28/c1-6-14-12-11-13-16(15(14)7-2)17(8-3,9-4)10-5/h11-13H,6-10H2,1-5H3
InChIKeyHWNZLLHCVABZGX-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.28
Rot. Bonds6

About 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene

1,2-diethyl-3-(3-ethylpentan-3-yl)benzene (PubChem CID 19809738) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene.

Molecular Properties

Compound Name1,2-diethyl-3-(3-ethylpentan-3-yl)benzene
PubChem CID19809738
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1,2-diethyl-3-(3-ethylpentan-3-yl)benzene
SMILESCCc1cccc(C(CC)(CC)CC)c1CC
InChIInChI=1S/C17H28/c1-6-14-12-11-13-16(15(14)7-2)17(8-3,9-4)10-5/h11-13H,6-10H2,1-5H3
InChIKeyHWNZLLHCVABZGX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene?
The IUPAC name of 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene (CID 19809738) is 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene.
What is the SMILES notation for 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene?
The canonical SMILES for 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene is CCc1cccc(C(CC)(CC)CC)c1CC.
What is the InChIKey of 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene?
The InChIKey is HWNZLLHCVABZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-6-14-12-11-13-16(15(14)7-2)17(8-3,9-4)10-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene?
1,2-diethyl-3-(3-ethylpentan-3-yl)benzene has a molecular weight of 232.41 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-(3-ethylpentan-3-yl)benzene is sourced from PubChem (CID 19809738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).