7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one

C18H24O2 — CID 15157197

IUPAC7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
SMILESCc1cc(C(C)(C)C)c(O)c2c1C1CCCCC1C2=O
InChIInChI=1S/C18H24O2/c1-10-9-13(18(2,3)4)17(20)15-14(10)11-7-5-6-8-12(11)16(15)19/h9,11-12,20H,5-8H2,1-4H3
InChIKeyZECPOSFFZIXNAB-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.47
Rot. Bonds

About 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one

7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one (PubChem CID 15157197) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one.

Molecular Properties

Compound Name7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
PubChem CID15157197
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one
SMILESCc1cc(C(C)(C)C)c(O)c2c1C1CCCCC1C2=O
InChIInChI=1S/C18H24O2/c1-10-9-13(18(2,3)4)17(20)15-14(10)11-7-5-6-8-12(11)16(15)19/h9,11-12,20H,5-8H2,1-4H3
InChIKeyZECPOSFFZIXNAB-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The IUPAC name of 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one (CID 15157197) is 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one.
What is the SMILES notation for 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The canonical SMILES for 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one is Cc1cc(C(C)(C)C)c(O)c2c1C1CCCCC1C2=O.
What is the InChIKey of 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
The InChIKey is ZECPOSFFZIXNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-10-9-13(18(2,3)4)17(20)15-14(10)11-7-5-6-8-12(11)16(15)19/h9,11-12,20H,5-8H2,1-4H3.
What are the key properties of 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one?
7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one has a molecular weight of 272.39 g/mol, XLogP of 4.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-8-hydroxy-5-methyl-1,2,3,4,4a,9a-hexahydrofluoren-9-one is sourced from PubChem (CID 15157197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).