(6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite

C15H17IOS — CID 145160140

IUPAC(6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite
SMILESCC1=C(C)CC2=C(C1)C(=O)C1CC=CCC21SI
InChIInChI=1S/C15H17IOS/c1-9-7-11-13(8-10(9)2)15(18-16)6-4-3-5-12(15)14(11)17/h3-4,12H,5-8H2,1-2H3
InChIKeyHYVIAGQJXZXPPG-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.78
Rot. Bonds1

About (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite

(6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite (PubChem CID 145160140) has the molecular formula C15H17IOS and a molecular weight of 372.27 g/mol. Its IUPAC name is (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite.

Molecular Properties

Compound Name(6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite
PubChem CID145160140
Molecular FormulaC15H17IOS
Molecular Weight372.27 g/mol
Exact Mass372.00
IUPAC Name(6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite
SMILESCC1=C(C)CC2=C(C1)C(=O)C1CC=CCC21SI
InChIInChI=1S/C15H17IOS/c1-9-7-11-13(8-10(9)2)15(18-16)6-4-3-5-12(15)14(11)17/h3-4,12H,5-8H2,1-2H3
InChIKeyHYVIAGQJXZXPPG-UHFFFAOYSA-N
XLogP4.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite?
The IUPAC name of (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite (CID 145160140) is (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite.
What is the SMILES notation for (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite?
The canonical SMILES for (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite is CC1=C(C)CC2=C(C1)C(=O)C1CC=CCC21SI.
What is the InChIKey of (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite?
The InChIKey is HYVIAGQJXZXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IOS/c1-9-7-11-13(8-10(9)2)15(18-16)6-4-3-5-12(15)14(11)17/h3-4,12H,5-8H2,1-2H3.
What are the key properties of (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite?
(6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite has a molecular weight of 372.27 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-9-oxo-4,5,8,9a-tetrahydro-1H-fluoren-4a-yl) thiohypoiodite is sourced from PubChem (CID 145160140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).