2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one

C18H24OS — CID 134458441

IUPAC2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
SMILESCSC12CC(C)=C(C)CC1C(=O)C1=C2CC(C)=C(C)C1
InChIInChI=1S/C18H24OS/c1-10-6-14-15(7-11(10)2)18(20-5)9-13(4)12(3)8-16(18)17(14)19/h16H,6-9H2,1-5H3
InChIKeyJOHBIRKWWSMDPW-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.84
Rot. Bonds1

About 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one

2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one (PubChem CID 134458441) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
PubChem CID134458441
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one
SMILESCSC12CC(C)=C(C)CC1C(=O)C1=C2CC(C)=C(C)C1
InChIInChI=1S/C18H24OS/c1-10-6-14-15(7-11(10)2)18(20-5)9-13(4)12(3)8-16(18)17(14)19/h16H,6-9H2,1-5H3
InChIKeyJOHBIRKWWSMDPW-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
The IUPAC name of 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one (CID 134458441) is 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one.
What is the SMILES notation for 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
The canonical SMILES for 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one is CSC12CC(C)=C(C)CC1C(=O)C1=C2CC(C)=C(C)C1.
What is the InChIKey of 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
The InChIKey is JOHBIRKWWSMDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-10-6-14-15(7-11(10)2)18(20-5)9-13(4)12(3)8-16(18)17(14)19/h16H,6-9H2,1-5H3.
What are the key properties of 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one?
2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one has a molecular weight of 288.46 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-4b-methylsulfanyl-4,5,8,8a-tetrahydro-1H-fluoren-9-one is sourced from PubChem (CID 134458441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).