8,8a-dihydro-4H-naphthalen-1-one

C10H10O — CID 57102045

IUPAC8,8a-dihydro-4H-naphthalen-1-one
SMILESO=C1C=CCC2=CC=CCC12
InChIInChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,7,9H,5-6H2
InChIKeyZHPMKFCEPFKZQN-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.02
Rot. Bonds

About 8,8a-dihydro-4H-naphthalen-1-one

8,8a-dihydro-4H-naphthalen-1-one (PubChem CID 57102045) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 8,8a-dihydro-4H-naphthalen-1-one.

Molecular Properties

Compound Name8,8a-dihydro-4H-naphthalen-1-one
PubChem CID57102045
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name8,8a-dihydro-4H-naphthalen-1-one
SMILESO=C1C=CCC2=CC=CCC12
InChIInChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,7,9H,5-6H2
InChIKeyZHPMKFCEPFKZQN-UHFFFAOYSA-N
XLogP2.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8a-dihydro-4H-naphthalen-1-one?
The IUPAC name of 8,8a-dihydro-4H-naphthalen-1-one (CID 57102045) is 8,8a-dihydro-4H-naphthalen-1-one.
What is the SMILES notation for 8,8a-dihydro-4H-naphthalen-1-one?
The canonical SMILES for 8,8a-dihydro-4H-naphthalen-1-one is O=C1C=CCC2=CC=CCC12.
What is the InChIKey of 8,8a-dihydro-4H-naphthalen-1-one?
The InChIKey is ZHPMKFCEPFKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-4,7,9H,5-6H2.
What are the key properties of 8,8a-dihydro-4H-naphthalen-1-one?
8,8a-dihydro-4H-naphthalen-1-one has a molecular weight of 146.19 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8a-dihydro-4H-naphthalen-1-one is sourced from PubChem (CID 57102045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).