4,8-diethyl-4,8-dihydronaphthalene-1,5-dione

C14H16O2 — CID 174772232

IUPAC4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
SMILESCCC1C=CC(=O)C2=C1C(=O)C=CC2CC
InChIInChI=1S/C14H16O2/c1-3-9-5-7-12(16)14-10(4-2)6-8-11(15)13(9)14/h5-10H,3-4H2,1-2H3
InChIKeyMRZFLQRJWIIYSQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.61
Rot. Bonds2

About 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione

4,8-diethyl-4,8-dihydronaphthalene-1,5-dione (PubChem CID 174772232) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione.

Molecular Properties

Compound Name4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
PubChem CID174772232
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
SMILESCCC1C=CC(=O)C2=C1C(=O)C=CC2CC
InChIInChI=1S/C14H16O2/c1-3-9-5-7-12(16)14-10(4-2)6-8-11(15)13(9)14/h5-10H,3-4H2,1-2H3
InChIKeyMRZFLQRJWIIYSQ-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione?
The IUPAC name of 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione (CID 174772232) is 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione.
What is the SMILES notation for 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione?
The canonical SMILES for 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione is CCC1C=CC(=O)C2=C1C(=O)C=CC2CC.
What is the InChIKey of 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione?
The InChIKey is MRZFLQRJWIIYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-9-5-7-12(16)14-10(4-2)6-8-11(15)13(9)14/h5-10H,3-4H2,1-2H3.
What are the key properties of 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione?
4,8-diethyl-4,8-dihydronaphthalene-1,5-dione has a molecular weight of 216.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-4,8-dihydronaphthalene-1,5-dione is sourced from PubChem (CID 174772232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).