1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one

C13H16O — CID 71367241

IUPAC1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one
SMILESO=C1C2=CC=CCC2C2CCCCC12
InChIInChI=1S/C13H16O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,7,9-10,12H,2,4-6,8H2
InChIKeyTUGQRWGEMRZWEV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.88
Rot. Bonds

About 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one

1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one (PubChem CID 71367241) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one.

Molecular Properties

Compound Name1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one
PubChem CID71367241
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one
SMILESO=C1C2=CC=CCC2C2CCCCC12
InChIInChI=1S/C13H16O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,7,9-10,12H,2,4-6,8H2
InChIKeyTUGQRWGEMRZWEV-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one?
The IUPAC name of 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one (CID 71367241) is 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one.
What is the SMILES notation for 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one?
The canonical SMILES for 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one is O=C1C2=CC=CCC2C2CCCCC12.
What is the InChIKey of 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one?
The InChIKey is TUGQRWGEMRZWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1,3,7,9-10,12H,2,4-6,8H2.
What are the key properties of 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one?
1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one has a molecular weight of 188.27 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,4b,5,9a-octahydrofluoren-9-one is sourced from PubChem (CID 71367241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).