5,7-dihydronaphthalene-1,6-dione

C10H8O2 — CID 19873270

IUPAC5,7-dihydronaphthalene-1,6-dione
SMILESO=C1CC=C2C(=O)C=CC=C2C1
InChIInChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,5H,4,6H2
InChIKeySBLGLKKAGIIDIC-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.34
Rot. Bonds

About 5,7-dihydronaphthalene-1,6-dione

5,7-dihydronaphthalene-1,6-dione (PubChem CID 19873270) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 5,7-dihydronaphthalene-1,6-dione.

Molecular Properties

Compound Name5,7-dihydronaphthalene-1,6-dione
PubChem CID19873270
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name5,7-dihydronaphthalene-1,6-dione
SMILESO=C1CC=C2C(=O)C=CC=C2C1
InChIInChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,5H,4,6H2
InChIKeySBLGLKKAGIIDIC-UHFFFAOYSA-N
XLogP1.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Naphthalenedione, 5,8-dihydro-6-(4-methyl-3-pentenyl)-
CID 10060286
5,6,7,8-Tetrahydro-alpha-naphthoquinone
CID 81987
2-Cyclohexen-1-one, 3-((1E)-3-oxo-1-buten-1-yl)-
CID 11182797
2-[2-(3,6-Dioxocyclohexa-1,4-dien-1-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 2729486
4,4a,5,6-Tetrahydro-2(3H)-naphthalenone
CID 277448
o-Benzoquinone, 3-pentadecyl-
CID 3015132
2-(6-Oxocyclohexen-1-yl)cyclohex-2-en-1-one
CID 11629736
4,6,7,8-Tetrahydro-2(3H)-naphthalenone
CID 12219011
1-(Cyclohex-1-en-1-yl)prop-2-en-1-one
CID 12468905
Tetrahydronaphthalene-one
CID 14148769
2-[3-(3,6-Dioxocyclohexa-1,4-dien-1-yl)propyl]cyclohexa-2,5-diene-1,4-dione
CID 902251
2-(3-Oxocyclohexen-1-yl)cyclohex-2-en-1-one
CID 134993890

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydronaphthalene-1,6-dione?
The IUPAC name of 5,7-dihydronaphthalene-1,6-dione (CID 19873270) is 5,7-dihydronaphthalene-1,6-dione.
What is the SMILES notation for 5,7-dihydronaphthalene-1,6-dione?
The canonical SMILES for 5,7-dihydronaphthalene-1,6-dione is O=C1CC=C2C(=O)C=CC=C2C1.
What is the InChIKey of 5,7-dihydronaphthalene-1,6-dione?
The InChIKey is SBLGLKKAGIIDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,5H,4,6H2.
What are the key properties of 5,7-dihydronaphthalene-1,6-dione?
5,7-dihydronaphthalene-1,6-dione has a molecular weight of 160.17 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydronaphthalene-1,6-dione is sourced from PubChem (CID 19873270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).