6,7,8,8a-tetrahydro-2H-naphthalen-1-one

C10H12O — CID 57284912

IUPAC6,7,8,8a-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CC=CC2=CCCCC12
InChIInChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3-5,9H,1-2,6-7H2
InChIKeyDGZLRTNOHVQNIE-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.24
Rot. Bonds

About 6,7,8,8a-tetrahydro-2H-naphthalen-1-one

6,7,8,8a-tetrahydro-2H-naphthalen-1-one (PubChem CID 57284912) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 6,7,8,8a-tetrahydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6,7,8,8a-tetrahydro-2H-naphthalen-1-one
PubChem CID57284912
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name6,7,8,8a-tetrahydro-2H-naphthalen-1-one
SMILESO=C1CC=CC2=CCCCC12
InChIInChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3-5,9H,1-2,6-7H2
InChIKeyDGZLRTNOHVQNIE-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,8a-tetrahydro-2H-naphthalen-1-one?
The IUPAC name of 6,7,8,8a-tetrahydro-2H-naphthalen-1-one (CID 57284912) is 6,7,8,8a-tetrahydro-2H-naphthalen-1-one.
What is the SMILES notation for 6,7,8,8a-tetrahydro-2H-naphthalen-1-one?
The canonical SMILES for 6,7,8,8a-tetrahydro-2H-naphthalen-1-one is O=C1CC=CC2=CCCCC12.
What is the InChIKey of 6,7,8,8a-tetrahydro-2H-naphthalen-1-one?
The InChIKey is DGZLRTNOHVQNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3-5,9H,1-2,6-7H2.
What are the key properties of 6,7,8,8a-tetrahydro-2H-naphthalen-1-one?
6,7,8,8a-tetrahydro-2H-naphthalen-1-one has a molecular weight of 148.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,8a-tetrahydro-2H-naphthalen-1-one is sourced from PubChem (CID 57284912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).