2,3,4,6,7,8-hexahydronaphthalene-1,5-dione

C10H12O2 — CID 10909891

IUPAC2,3,4,6,7,8-hexahydronaphthalene-1,5-dione
SMILESO=C1CCCC2=C1CCCC2=O
InChIInChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H2
InChIKeyDDCPYPUQNLMVRO-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.79
Rot. Bonds

About 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione

2,3,4,6,7,8-hexahydronaphthalene-1,5-dione (PubChem CID 10909891) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydronaphthalene-1,5-dione
PubChem CID10909891
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,3,4,6,7,8-hexahydronaphthalene-1,5-dione
SMILESO=C1CCCC2=C1CCCC2=O
InChIInChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H2
InChIKeyDDCPYPUQNLMVRO-UHFFFAOYSA-N
XLogP1.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione?
The IUPAC name of 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione (CID 10909891) is 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione.
What is the SMILES notation for 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione?
The canonical SMILES for 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione is O=C1CCCC2=C1CCCC2=O.
What is the InChIKey of 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione?
The InChIKey is DDCPYPUQNLMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6H2.
What are the key properties of 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione?
2,3,4,6,7,8-hexahydronaphthalene-1,5-dione has a molecular weight of 164.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydronaphthalene-1,5-dione is sourced from PubChem (CID 10909891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).