3,8-diethyl-1-methylnaphthalene

C15H18 — CID 57467772

IUPAC3,8-diethyl-1-methylnaphthalene
SMILESCCc1cc(C)c2c(CC)cccc2c1
InChIInChI=1S/C15H18/c1-4-12-9-11(3)15-13(5-2)7-6-8-14(15)10-12/h6-10H,4-5H2,1-3H3
InChIKeyAEUDETVZJTWWGT-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.27
Rot. Bonds2

About 3,8-diethyl-1-methylnaphthalene

3,8-diethyl-1-methylnaphthalene (PubChem CID 57467772) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,8-diethyl-1-methylnaphthalene.

Molecular Properties

Compound Name3,8-diethyl-1-methylnaphthalene
PubChem CID57467772
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3,8-diethyl-1-methylnaphthalene
SMILESCCc1cc(C)c2c(CC)cccc2c1
InChIInChI=1S/C15H18/c1-4-12-9-11(3)15-13(5-2)7-6-8-14(15)10-12/h6-10H,4-5H2,1-3H3
InChIKeyAEUDETVZJTWWGT-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-1-methylnaphthalene?
The IUPAC name of 3,8-diethyl-1-methylnaphthalene (CID 57467772) is 3,8-diethyl-1-methylnaphthalene.
What is the SMILES notation for 3,8-diethyl-1-methylnaphthalene?
The canonical SMILES for 3,8-diethyl-1-methylnaphthalene is CCc1cc(C)c2c(CC)cccc2c1.
What is the InChIKey of 3,8-diethyl-1-methylnaphthalene?
The InChIKey is AEUDETVZJTWWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-4-12-9-11(3)15-13(5-2)7-6-8-14(15)10-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 3,8-diethyl-1-methylnaphthalene?
3,8-diethyl-1-methylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-1-methylnaphthalene is sourced from PubChem (CID 57467772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).